CC(NC(=O)c1cc(Cl)ccc1NC(=O)C1CC(c2cc([N+](=O)[O-])ccc2S(=O)(=O)[O-])=NN1c1ncccc1Cl)C1CC1
SMILES: CC(NC(=O)c1cc(Cl)ccc1NC(=O)C1CC(c2cc([N+](=O)[O-])ccc2S(=O)(=O)[O-])=NN1c1ncccc1Cl)C1CC1

Molecular Processing

Molecular formula
C27H23Cl2N6O7S-
Molecular weight
646.49
Exact mass
645.0731
XLogP
4.35
TPSA
187.03
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
-1
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
157.46

Supplementary Information

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