Name: 1-(4-pyridyl)cyclopentanecarboxylic acid, benzyl ester
SMILES:
O=C(OCc1ccccc1)C1(c2ccncc2)CCCC1Molecular Processing
Molecular formula
C18H19NO2
Molecular weight
281.36
Exact mass
281.1416
XLogP
3.64
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
80.62
Supplementary Information
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