CCOC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3cc(OC)ccc3c2)cc1
SMILES: CCOC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3cc(OC)ccc3c2)cc1

Molecular Processing

Molecular formula
C31H26Cl2N2O3
Molecular weight
545.47
Exact mass
544.132
XLogP
8.47
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.161
Molar refractivity
153.39

Supplementary Information

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