이름: 2-Cyclopentylbenzonitrile
SMILES:
N#Cc1ccccc1C1CCCC1Molecular Processing
Molecular formula
C12H13N
Molecular weight
171.24
Exact mass
171.1048
XLogP
3.22
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
52.37
Supplementary Information
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