C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)CN2CCOCC2)C1=O
SMILES: C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)CN2CCOCC2)C1=O

Molecular Processing

Molecular formula
C29H36Cl2N2O2
Molecular weight
515.53
Exact mass
514.2154
XLogP
6.74
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
144.11

Supplementary Information

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