Name: 2-Methyl-4-(1H-pyrazol-3-yl)benzonitrile
SMILES:
Cc1cc(-c2cc[nH]n2)ccc1C#NMolecular Processing
Molecular formula
C11H9N3
Molecular weight
183.21
Exact mass
183.0796
XLogP
2.26
TPSA
52.47
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
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
0.091
Molar refractivity
53.48
Supplementary Information
Details werden geladen…
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