CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SC3CC(CN4CCCC4)N(C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)C(C)C12
SMILES: CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SC3CC(CN4CCCC4)N(C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)C(C)C12

Molecular Processing

Molecular formula
C34H39N5O10S
Molecular weight
709.78
Exact mass
709.2418
XLogP
4.22
TPSA
185.9
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
50
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
180.33

Supplementary Information

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