Molecule

ID:70242

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)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3
InChIKey
SZIKRGHFZTYTIT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCCN1
Isomeric Smiles
C1(CCCCN1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.21326578
LogD (pH = 7.4)
0.79555833
Log P
0.85012925
Molar Refractivity
42.183
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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