Molecule

ID:70317

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3
InChIKey
RUJPPJYDHHAEEK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCNCC1
Isomeric Smiles
N1CCC(CC1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8098829
LogD (pH = 7.4)
-1.8388063
Log P
0.38293418
Molar Refractivity
42.593
Polarizability
17.03371
Polar Surface Area
38.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation