Molecule

ID:21493

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO
Molecular Mass
197.31712
Exact Mass
197.17796436
Charge
0
InChI
InChI=1S/C12H23NO/c14-11-5-4-9-13-10-8-12-6-2-1-3-7-12/h2,6,12-14H,1,3-5,7-11H2
InChIKey
NVELTLDYYSDWNY-UHFFFAOYSA-N
Canonic Smiles
OCCCCNCCC1CCCC=C1
Isomeric Smiles
C1=CCCCC1CCNCCCCO
Calculated Properties
JChem
Acid pKa
15.972579
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.4209977
LogD (pH = 7.4)
-1.0447551
Log P
1.8133185
Molar Refractivity
62.0353
Polarizability
24.023426
Polar Surface Area
32.26
Rotatable Bonds
7
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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