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百家了庄闲技巧赌必胜报道ZINC04754850,,, :Molecular Weight302.39132 [g/mol]Molecular FormulaC_百家了庄闲技巧赌必胜官网资讯

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摘 要:ZINC04754850,,, :Molecular Weight302.39132 [g/mol]Molecular FormulaC16H18N2O2SXLogP3.1H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count2Tautomer Count3Exact Mass302.108899MonoIsotopic Mass302.108899Topological Polar Surface Area52.9Heavy Atom Count
[Synonyms]
ZINC04754850


Properties Computed from Structure:Molecular Weight302.39132 [g/mol]Molecular FormulaC16H18N2O2SXLogP3.1H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count2Tautomer Count3Exact Mass302.108899MonoIsotopic Mass302.108899Topological Polar Surface Area52.9Heavy Atom Count21Formal Charge0Complexity475Isotope Atom Count0Defined Atom StereoCenter Count1Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count1Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: (5E)-5-[(3-hydroxyphenyl)methylidene]-2-[(3S)-3-methylpiperidin-1-yl]-1,
3-thiazol-4-one
Canonical SMILES: CC1CCCN(C1)C2=NC(=O)C(=CC3=CC(=CC=C3)O)S2
Isomeric SMILES: C[C@H]1CCCN(C1)C2=NC(=O)/C(=C\C3=CC(=CC=C3)O)/S2
InChI: InChI=1/C16H18N2O2S/c1-11-4-3-7-18(10-11)16-17-15(20)14(21-16)9-12-5-2-
6-13(19)8-12/h2,5-6,8-9,11,19H,3-4,7,10H2,1H3/b14-9+/t11-/m0/s1


Compound Info:CID: 1927316  Create Date: 2005-07-09
Related Compounds:
Same, Connectivity: 7 Links

Similar Compounds: 79 Links


Substance Info:Substances: 2 Links

Category: [for same structure substances]Substance Vendors: 2 Links
   ChemSpider ( 1 )
SID: 35854307 - External ID: 1479582
   ZINC ( 1 )
SID: 12561063 - External ID: ZINC04754850

Theoretical Properties: 1 Link
   ZINC ( 1 )
SID: 12561063 - External ID: ZINC04754850

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID1927316Molecular Weight302.39132 [g/mol]Molecular FormulaC16H18N2O2SXLogP3.1H-Bond Donor1H-Bond Acceptor3  Links
Chemical Structure Search

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[Structure]
ZINC04754850,,,   :Molecular Weight302.39132 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight302.39132 [g/mol]
Molecular FormulaC16H18N2O2S
XLogP3.1
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count2
Tautomer Count3
Exact Mass302.108899
MonoIsotopic Mass302.108899
Topological Polar Surface Area52.9
Heavy Atom Count21
Formal Charge0
Complexity475
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (5E)-5-[(3-hydroxyphenyl)methylidene]-2-[(3S)-3-methylpiperidin-1-yl]-1,
3-thiazol-4-one
Canonical SMILES: CC1CCCN(C1)C2=NC(=O)C(=CC3=CC(=CC=C3)O)S2
Isomeric SMILES: C[C@H]1CCCN(C1)C2=NC(=O)/C(=C\C3=CC(=CC=C3)O)/S2
InChI: InChI=1/C16H18N2O2S/c1-11-4-3-7-18(10-11)16-17-15(20)14(21-16)9-12-5-2-
6-13(19)8-12/h2,5-6,8-9,11,19H,3-4,7,10H2,1H3/b14-9+/t11-/m0/s1

 
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