SMILES:
Cc1nc2cc(NC(=O)Oc3ccc([N+](=O)[O-])cc3)ccc2s1.ClMolecular Processing
Molecular formula
C15H12ClN3O4S
Molecular weight
365.8
Exact mass
365.0237
XLogP
4.55
TPSA
94.36
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.067
Molar refractivity
94.35
Supplementary Information
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