이름: 4-methylphenylacetonitrile
SMILES:
Cc1ccc(CC#N)cc1Molecular Processing
Molecular formula
C9H9N
Molecular weight
131.18
Exact mass
131.0735
XLogP
2.06
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
40.5
Supplementary Information
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