SMILES:
CN1C2CC=C(C#N)C1CC2Molecular Processing
Molecular formula
C9H12N2
Molecular weight
148.21
Exact mass
148.1
XLogP
1.3
TPSA
27.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
42.89
Supplementary Information
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