Name: 5-Nitro-2-(3-pyridinyl)benzothiazole
SMILES:
O=[N+]([O-])c1ccc2sc(-c3cccnc3)nc2c1Molecular Processing
Molecular formula
C12H7N3O2S
Molecular weight
257.27
Exact mass
257.0259
XLogP
3.27
TPSA
68.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
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
69.51
Supplementary Information
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