COc1ccc(CSC2CC(C(=O)N3CCC(NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1
SMILES: COc1ccc(CSC2CC(C(=O)N3CCC(NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

Molecular Processing

Molecular formula
C33H35N5O10S
Molecular weight
693.74
Exact mass
693.2105
XLogP
5.05
TPSA
183.69
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
49
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
177.87

Supplementary Information

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