Name: 3-(1-phenyl-3-propyl-1H-pyrazol-5-yl)propanal
SMILES:
CCCc1cc(CCC=O)n(-c2ccccc2)n1Molecular Processing
Molecular formula
C15H18N2O
Molecular weight
242.32
Exact mass
242.1419
XLogP
2.96
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
18
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
0.333
Molar refractivity
71.94
Supplementary Information
Details werden geladen…
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