CID 40562338
PubChem CID
40562338
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
296.3 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(5Z)-5-benzylidene-2-(3-hydroxyanilino)-1,3-thiazol-4-one
InChI=1S/C16H12N2O2S/c19-13-8-4-7-12(10-13)17-16-18-15(20)14(21-16)9-11-5-2-1-3-6-11/h1-10,19H,(H,17,18,20)/b14-9-
BWYIRHFSXBMJLR-ZROIWOOFSA-N
C1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)NC3=CC(=CC=C3)O
C16H12N2O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
296.3 g/mol
Property Name
XLogP3-AA
Property Value
3.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
296.06194880 g/mol
Property Name
Monoisotopic Mass
Property Value
296.06194880 g/mol
Property Name
Topological Polar Surface Area
Property Value
87 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
455
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
1
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
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CONTENTS