이름: 6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester
SMILES:
COC(=O)c1cc2ccc([N+](=O)[O-])cc2s1Molecular Processing
Molecular formula
C10H7NO4S
Molecular weight
237.24
Exact mass
237.0096
XLogP
2.6
TPSA
69.44
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
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
0.1
Molar refractivity
59.82
Supplementary Information
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