이름: 2-nitrobenzenethiol
SMILES:
O=[N+]([O-])c1ccccc1SMolecular Processing
Molecular formula
C6H5NO2S
Molecular weight
155.18
Exact mass
155.0041
XLogP
1.88
TPSA
43.14
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
40.35
Supplementary Information
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