CC1(CC(=O)O)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C2CCC(O)C2O)C1=O
SMILES: CC1(CC(=O)O)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C2CCC(O)C2O)C1=O

Molecular Processing

Molecular formula
C25H27Cl2NO5
Molecular weight
492.4
Exact mass
491.1266
XLogP
4.42
TPSA
98.07
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
125.24

Supplementary Information

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