Name: 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1,2-propanediol
SMILES:
OC(c1ccc(Cl)cc1)C(O)(Cn1cncn1)c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C17H14Cl3N3O2
Molecular weight
398.68
Exact mass
397.0152
XLogP
3.86
TPSA
71.17
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
96.79
Supplementary Information
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