Nombre: 3-(2-chloro-4-cyanophenyl)-propanoic acid
SMILES:
N#Cc1ccc(CCC(=O)O)c(Cl)c1Molecular Processing
Molecular formula
C10H8ClNO2
Molecular weight
209.63
Exact mass
209.0244
XLogP
2.23
TPSA
61.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
52.12
Supplementary Information
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