O=[N+]([O-])c1ccc(Cc2nc3c(s2)CCCC3)cc1
SMILES: O=[N+]([O-])c1ccc(Cc2nc3c(s2)CCCC3)cc1

Molecular Processing

Molecular formula
C14H14N2O2S
Molecular weight
274.34
Exact mass
274.0776
XLogP
3.52
TPSA
56.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
74.66

Supplementary Information

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