Molecule

ID:58732

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₂
Molecular Mass
225.32722
Exact Mass
225.17287898
Charge
0
InChI
InChI=1S/C13H23NO2/c1-6-8-13(14,9-7-2)10-11(15)16-12(3,4)5/h6-7H,1-2,8-10,14H2,3-5H3
InChIKey
QURQIBNRVVEBRS-UHFFFAOYSA-N
Canonic Smiles
C=CCC(CC(=O)OC(C)(C)C)(CC=C)N
Isomeric Smiles
C(=C)CC(CC=C)(CC(=O)OC(C)(C)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6937422
LogD (pH = 7.4)
0.05773562
Log P
2.3127487
Molar Refractivity
66.6727
Polarizability
26.487389
Polar Surface Area
52.32
Rotatable Bonds
8
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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