SMILES:
CCc1c(Nc2ccc(CC(=O)O)cc2)cc(-c2cccc(Cl)c2)nc1CMolecular Processing
Molecular formula
C22H21ClN2O2
Molecular weight
380.88
Exact mass
380.1292
XLogP
5.64
TPSA
62.22
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
109.86
Supplementary Information
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