Molecule

ID:21506

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃NO
Molecular Mass
185.30642
Exact Mass
185.17796436
Charge
0
InChI
InChI=1S/C11H23NO/c1-12(9-5-6-10-13)11-7-3-2-4-8-11/h11,13H,2-10H2,1H3
InChIKey
YRRULSXBQVBJAR-UHFFFAOYSA-N
Canonic Smiles
OCCCCN(C1CCCCC1)C
Isomeric Smiles
N(C1CCCCC1)(CCCCO)C
Calculated Properties
JChem
Acid pKa
15.972567
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6091001
LogD (pH = 7.4)
-1.0326989
Log P
1.8766603
Molar Refractivity
56.8046
Polarizability
22.414919
Polar Surface Area
23.47
Rotatable Bonds
5
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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