Molecule

ID:91304

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-6-10-8(11-7-1)2-4-9-5-3-8/h9H,1-7H2
InChIKey
ZQGLEEFGEZLSAJ-UHFFFAOYSA-N
Canonic Smiles
N1CCC2(CC1)OCCCO2
Isomeric Smiles
N1CCC2(CC1)OCCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6645494
LogD (pH = 7.4)
-1.713249
Log P
0.5308716
Molar Refractivity
41.4566
Polarizability
16.927067
Polar Surface Area
30.49
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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