SMILES:
CC(C)(C#N)c1ccc(CN)cc1Molecular Processing
Molecular formula
C11H14N2
Molecular weight
174.25
Exact mass
174.1157
XLogP
1.95
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
52.97
Supplementary Information
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