Name: [1-ethyl-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]-phenyl-methanone
SMILES:
CCn1nc(C)c(C(=O)c2ccccc2)c1Oc1ccc(OC)cc1Molecular Processing
Molecular formula
C20H20N2O3
Molecular weight
336.39
Exact mass
336.1474
XLogP
4.24
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
95.58
Supplementary Information
Details werden geladen…
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