Molecule

ID:57528

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₂
Molecular Mass
171.23678
Exact Mass
171.12592879
Charge
0
InChI
InChI=1S/C9H17NO2/c1-2-12-9(11)8-10-6-4-3-5-7-10/h2-8H2,1H3
InChIKey
LXZHLNWWDDNIOJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1CCCCC1
Isomeric Smiles
N1(CC(=O)OCC)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.55520815
LogD (pH = 7.4)
0.8546535
Log P
1.0212209
Molar Refractivity
47.7324
Polarizability
18.871552
Polar Surface Area
29.54
Rotatable Bonds
4
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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