Name: 4-nitro-1-cyclohexyl-1H-benzotriazole
SMILES:
O=[N+]([O-])c1cccc2c1nnn2C1CCCCC1Molecular Processing
Molecular formula
C12H14N4O2
Molecular weight
246.27
Exact mass
246.1117
XLogP
2.84
TPSA
73.85
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
66.3
Supplementary Information
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