الاسم: 1-chloro-1(1,2,4-triazol-1-yl)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-ethane
SMILES:
Fc1ccc(C(c2ccccc2F)C(Cl)n2cncn2)cc1Molecular Processing
Molecular formula
C16H12ClF2N3
Molecular weight
319.74
Exact mass
319.0688
XLogP
4.13
TPSA
30.71
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
79.56
Supplementary Information
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