Molecule

ID:17461

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO
Molecular Mass
209.32782
Exact Mass
209.17796436
Charge
0
InChI
InChI=1S/C13H23NO/c15-2-1-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12,14-15H,1-9H2
InChIKey
PXQHUVHSOLQIQZ-UHFFFAOYSA-N
Canonic Smiles
OCCNCC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(CC3CC(C1)CC(C2)C3)CNCCO
Calculated Properties
JChem
Acid pKa
15.602225
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.6806141
LogD (pH = 7.4)
-1.0507824
Log P
1.5429091
Molar Refractivity
61.1702
Polarizability
24.635843
Polar Surface Area
32.26
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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