SMILES:
CCOC(=S)CCc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C11H13NO3S
Molecular weight
239.3
Exact mass
239.0616
XLogP
2.89
TPSA
52.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
65.64
Supplementary Information
Récupération des détails…
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