COC(=O)CC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CO)C2CC2)C1=O
SMILES: COC(=O)CC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CO)C2CC2)C1=O

Molecular Processing

Molecular formula
C26H29Cl2NO4
Molecular weight
490.43
Exact mass
489.1474
XLogP
5.39
TPSA
66.84
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
128.19

Supplementary Information

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