Nombre: 1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl1-penten-3-one
SMILES:
CC(C)(C)C(=O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1Molecular Processing
Molecular formula
C15H15Cl2N3O
Molecular weight
324.21
Exact mass
323.0592
XLogP
4.2
TPSA
47.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
85.11
Supplementary Information
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