Molecule

ID:83350

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₂
Molecular Mass
197.27406
Exact Mass
197.14157885
Charge
0
InChI
InChI=1S/C11H19NO2/c13-9-11-14-10-5-4-8-12-6-2-1-3-7-12/h13H,1-3,6-11H2
InChIKey
OJWJGBLTRWIARL-UHFFFAOYSA-N
Canonic Smiles
OCCOCC#CCN1CCCCC1
Isomeric Smiles
N1(CC#CCOCCO)CCCCC1
Calculated Properties
JChem
Acid pKa
15.1188755
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9258493
LogD (pH = 7.4)
-0.15329316
Log P
0.7773021
Molar Refractivity
58.0293
Polarizability
22.001596
Polar Surface Area
32.7
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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