CC(C)(CC(=O)c1ccc(-c2ccc(Nc3ncc([N+](=O)[O-])s3)cc2)cc1)C(=O)O
SMILES: CC(C)(CC(=O)c1ccc(-c2ccc(Nc3ncc([N+](=O)[O-])s3)cc2)cc1)C(=O)O

Molecular Processing

Molecular formula
C21H19N3O5S
Molecular weight
425.47
Exact mass
425.1045
XLogP
5.15
TPSA
122.43
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
114.29

Supplementary Information

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