Molecule

ID:33324

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₂
Molecular Mass
171.23678
Exact Mass
171.12592879
Charge
0
InChI
InChI=1S/C9H17NO2/c1-12-9(11)5-8-10-6-3-2-4-7-10/h2-8H2,1H3
InChIKey
ANAJGIRVGQSWEN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCN1CCCCC1
Isomeric Smiles
N1(CCC(=O)OC)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.334727
LogD (pH = 7.4)
-0.7771313
Log P
0.9014257
Molar Refractivity
47.6832
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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