Name: 2-(2-chlorophenylamino)-3,4-difluoro-6-styrylbenzoic acid methyl ester
SMILES:
COC(=O)c1c(C=Cc2ccccc2)cc(F)c(F)c1Nc1ccccc1ClMolecular Processing
Molecular formula
C22H16ClF2NO2
Molecular weight
399.82
Exact mass
399.0838
XLogP
6.32
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.045
Molar refractivity
107.8
Supplementary Information
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