이름: 1-benzylpiperidine-4-carbonitrile
SMILES:
N#CC1CCN(Cc2ccccc2)CC1Molecular Processing
Molecular formula
C13H16N2
Molecular weight
200.28
Exact mass
200.1313
XLogP
2.42
TPSA
27.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
60.06
Supplementary Information
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