Name: 3-(1-phenyl-3-ethyl-1H-pyrazol-5-yl)propanal
SMILES:
CCc1cc(CCC=O)n(-c2ccccc2)n1Molecular Processing
Molecular formula
C14H16N2O
Molecular weight
228.3
Exact mass
228.1263
XLogP
2.57
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
67.33
Supplementary Information
Details werden geladen…
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