이름: 3,4-dimethylphenylacetonitrile
SMILES:
Cc1ccc(CC#N)cc1CMolecular Processing
Molecular formula
C10H11N
Molecular weight
145.21
Exact mass
145.0891
XLogP
2.37
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
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
0.3
Molar refractivity
45.23
Supplementary Information
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