Computed Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.296g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Synonyms
2-(benzylsulfanyl)pyridine-4-carboxylic acid
100727-33-1
AKOS000214974
MCULE-3597944090
NE52793
EN300-53344
2-(Benzylthio)pyridine-4-carboxylic acid, AldrichCPR
Z227823130
2-(Benzylthio)isonicotinic acid
4-Pyridinecarboxylic acid, 2-[(phenylmethyl)thio]-
ACMC-20m3su
AC1Q733W
CHEMBL3464878
CTK0D9989
DTXSID90654511
ZINC5947174
