Name: 4-Nitro-benzo[b]thiophene-2-carboxylic acid
SMILES:
O=C(O)c1cc2c([N+](=O)[O-])cccc2s1Molecular Processing
Molecular formula
C9H5NO4S
Molecular weight
223.21
Exact mass
222.9939
XLogP
2.51
TPSA
80.44
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
55.44
Supplementary Information
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