CCOC(=O)CSCc1cc2cccc([N+](=O)[O-])c2o1
SMILES: CCOC(=O)CSCc1cc2cccc([N+](=O)[O-])c2o1

Molecular Processing

Molecular formula
C13H13NO5S
Molecular weight
295.32
Exact mass
295.0514
XLogP
3.14
TPSA
82.58
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
75.66

Supplementary Information

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