Molecule

ID:52625

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO
Molecular Mass
141.2108
Exact Mass
141.11536411
Charge
0
InChI
InChI=1S/C8H15NO/c10-6-8-3-1-2-7(8)4-9-5-8/h7,9-10H,1-6H2
InChIKey
ZUGGTKAULOSNOR-UHFFFAOYSA-N
Canonic Smiles
OCC12CCCC2CNC1
Isomeric Smiles
C12CNCC1(CCC2)CO
Calculated Properties
JChem
Acid pKa
15.061121
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.2178636
LogD (pH = 7.4)
-3.0193958
Log P
0.020937104
Molar Refractivity
40.1492
Polarizability
16.15159
Polar Surface Area
32.26
Rotatable Bonds
1
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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