Название: 3,3-dimethyl-5-[1,2,4-triazol-1-ylmethyl]-3H-isobenzofuran-1-one
SMILES:
CC1(C)OC(=O)c2ccc(Cn3cncn3)cc21Molecular Processing
Molecular formula
C13H13N3O2
Molecular weight
243.27
Exact mass
243.1008
XLogP
1.73
TPSA
57.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
64.01
Supplementary Information
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