O=C(O)CCc1cc(Cl)c(Oc2ncccc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
SMILES: O=C(O)CCc1cc(Cl)c(Oc2ncccc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl

Molecular Processing

Molecular formula
C26H23Cl2N3O4
Molecular weight
512.39
Exact mass
511.1066
XLogP
5.83
TPSA
82.97
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
135.22

Supplementary Information

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