Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2N2CCN(CCO)CC2)C12C(=O)Nc1cc(Cl)ccc12
SMILES: Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2N2CCN(CCO)CC2)C12C(=O)Nc1cc(Cl)ccc12

Molecular Processing

Molecular formula
C31H31Cl2FN4O3
Molecular weight
597.52
Exact mass
596.1757
XLogP
4.79
TPSA
84.91
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
41
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
158.33

Supplementary Information

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