Nc1c(Cl)cc(C(=O)O)c2oc3c(c12)CCCC3.Nc1c(Cl)cc(C(=O)O)c2oc3ccccc3c12
SMILES: Nc1c(Cl)cc(C(=O)O)c2oc3c(c12)CCCC3.Nc1c(Cl)cc(C(=O)O)c2oc3ccccc3c12

Molecular Processing

Molecular formula
C26H20Cl2N2O6
Molecular weight
527.36
Exact mass
526.0698
XLogP
6.77
TPSA
152.92
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
36
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.154
Molar refractivity
139.34

Supplementary Information

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