CC(C)(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N1CCCC1=O
SMILES: CC(C)(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N1CCCC1=O

Molecular Processing

Molecular formula
C28H23Cl3N2O3
Molecular weight
541.86
Exact mass
540.0774
XLogP
8.48
TPSA
63.41
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
145.28

Supplementary Information

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