Name: 1-[4-(1-aminoethyl)phenyl]cyclobutanecarbonitrile
SMILES:
CC(N)c1ccc(C2(C#N)CCC2)cc1Molecular Processing
Molecular formula
C13H16N2
Molecular weight
200.28
Exact mass
200.1313
XLogP
2.65
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
60.19
Supplementary Information
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