Name: 1-(3-chloro-4-cyano-2-methylphenyl)proline
SMILES:
Cc1c(N2CCC[C@H]2C(=O)O)ccc(C#N)c1ClMolecular Processing
Molecular formula
C13H13ClN2O2
Molecular weight
264.71
Exact mass
264.0666
XLogP
2.57
TPSA
64.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
68.91
Supplementary Information
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