C1=CC(=CC=C1NC(=O)C2=CN=C(C=C2)SCC(=O)O)F
Name: 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetic acid
SMILES: C1=CC(=CC=C1NC(=O)C2=CN=C(C=C2)SCC(=O)O)F

Molecular Processing

Molecular formula
C14H11FN2O3S
Molecular weight
306.32
Exact mass
306.0474
XLogP
2.65
TPSA
79.29
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
76.95

Supplementary Information

InChIKey: AIDNQXLLHNXJPG-UHFFFAOYSA-N
Synonyme
CHEMBL39835SCHEMBL5845286AIDNQXLLHNXJPG-UHFFFAOYSA-NBDBM50113636[5-(4-fluorophenylcarbamoyl)pyridin-2-ylsulfanyl]acetic acid[5-(4-Fluoro-phenylcarbamoyl)-pyridin-2-ylsulfanyl]-acetic acid
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