Nombre: benzotriazole aldehyde
SMILES:
O=Cc1cccc2[nH]nnc12Molecular Processing
Molecular formula
C7H5N3O
Molecular weight
147.14
Exact mass
147.0433
XLogP
0.77
TPSA
58.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
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
Molar refractivity
39.28
Supplementary Information
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