CID 2207977
PubChem CID
2207977
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
268.3 g/mol
Dates
- Create:2005-07-15
Chemical Structure Depiction
2-(4-methylsulfanylphenyl)-1H-quinazolin-4-one
InChI=1S/C15H12N2OS/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
RINHPBSTNZTFJF-UHFFFAOYSA-N
Isomeric SMILES
CSC1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3N2
C15H12N2OS
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
268.3 g/mol
Property Name
XLogP3
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
268.06703418 g/mol
Property Name
Monoisotopic Mass
Property Value
268.06703418 g/mol
Property Name
Topological Polar Surface Area
Property Value
66.8A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
374
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
0
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