Name: 3-methyl-5-nitro-benzo[b]thiophene
SMILES:
Cc1csc2ccc([N+](=O)[O-])cc12Molecular Processing
Molecular formula
C9H7NO2S
Molecular weight
193.23
Exact mass
193.0197
XLogP
3.12
TPSA
43.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
53.22
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→