Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1.O=C(O)CCCCc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N2CCCCC2)c1
SMILES: Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1.O=C(O)CCCCc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N2CCCCC2)c1

Molecular Processing

Molecular formula
C53H52Cl2N2O5
Molecular weight
867.91
Exact mass
866.3253
XLogP
11.82
TPSA
95.94
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
14
Heavy atoms
62
Rings
8
Aromatic rings
6
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.264
Molar refractivity
247.83

Supplementary Information

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