O=C(COCc1cc(Cl)cc(Cl)c1)C(CCN1CCC2(CC1)CNc1ccccc12)c1ccc(Cl)c(Cl)c1
SMILES: O=C(COCc1cc(Cl)cc(Cl)c1)C(CCN1CCC2(CC1)CNc1ccccc12)c1ccc(Cl)c(Cl)c1

Molecular Processing

Molecular formula
C30H30Cl4N2O2
Molecular weight
592.39
Exact mass
590.1061
XLogP
8.02
TPSA
41.57
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
157.23

Supplementary Information

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