Name: 1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-pyrazolylprop-2-en-1-one
SMILES:
CN(C)C=C(C(=O)c1ccc(Cl)cc1Cl)c1cc[nH]n1Molecular Processing
Molecular formula
C14H13Cl2N3O
Molecular weight
310.18
Exact mass
309.0436
XLogP
3.5
TPSA
48.99
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
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
0.143
Molar refractivity
81.04
Supplementary Information
Details werden geladen…
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