CN(C)C(=O)SC(C1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)O
Name: 2-[4-(2-chlorophenyl)phenyl]-2-(dimethylcarbamoylsulfanyl)acetic acid
SMILES: CN(C)C(=O)SC(C1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)O

Molecular Processing

Molecular formula
C17H16ClNO3S
Molecular weight
349.84
Exact mass
349.0539
XLogP
4.55
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
93.94

Supplementary Information

InChIKey: ZCWYOXHAILEXCG-UHFFFAOYSA-N
Synonyme
SCHEMBL11841605ZCWYOXHAILEXCG-UHFFFAOYSA-Nalpha-dimethylcarbamylthio-2'-chloro-4-biphenylylacetic acid
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