CC1(CC(=O)O)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C2C=CCC2)C1=O
SMILES: CC1(CC(=O)O)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C2C=CCC2)C1=O

Molecular Processing

Molecular formula
C25H25Cl2NO3
Molecular weight
458.39
Exact mass
457.1211
XLogP
6.25
TPSA
57.61
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
122.37

Supplementary Information

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