CCC(CC(C)(C)C#N)N1C(=O)C(C)(CC(O)CO)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1
SMILES: CCC(CC(C)(C)C#N)N1C(=O)C(C)(CC(O)CO)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C29H36Cl2N2O3
Molecular weight
531.52
Exact mass
530.2103
XLogP
6.52
TPSA
84.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.517
Molar refractivity
143.76

Supplementary Information

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