Nombre: nitrile
SMILES:
COc1ccc2c(c1)c1c3c(c(-c4ccccc4Cl)cc1n2CCC#N)C(=O)NC3=OMolecular Processing
Molecular formula
C24H16ClN3O3
Molecular weight
429.86
Exact mass
429.088
XLogP
4.92
TPSA
84.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
118.47
Supplementary Information
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