Name: 6-nitrobenzothiazole
SMILES:
O=[N+]([O-])c1ccc2ncsc2c1Molecular Processing
Molecular formula
C7H4N2O2S
Molecular weight
180.19
Exact mass
179.9993
XLogP
2.2
TPSA
56.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
46.27
Supplementary Information
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