C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(C=O)CC)C1=O
SMILES: C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(C=O)CC)C1=O

Molecular Processing

Molecular formula
C25H27Cl2NO2
Molecular weight
444.4
Exact mass
443.1419
XLogP
6.61
TPSA
37.38
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
122.91

Supplementary Information

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