Название: 2-(4-ethynylphenyl)-3-methyl-1-(1H-1,2,4-triazole-1-yl)butan-2-ol
SMILES:
C#Cc1ccc(C(O)(Cn2cncn2)C(C)C)cc1Molecular Processing
Molecular formula
C15H17N3O
Molecular weight
255.32
Exact mass
255.1372
XLogP
1.8
TPSA
50.94
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
73.13
Supplementary Information
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