Molecule

ID:21862

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO
Molecular Mass
171.27984
Exact Mass
171.1623143
Charge
0
InChI
InChI=1S/C10H21NO/c12-10-6-5-9-11-7-3-1-2-4-8-11/h12H,1-10H2
InChIKey
VEZPTXHBVDZYHO-UHFFFAOYSA-N
Canonic Smiles
OCCCCN1CCCCCC1
Isomeric Smiles
N1(CCCCO)CCCCCC1
Calculated Properties
JChem
Acid pKa
15.972566
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0977788
LogD (pH = 7.4)
-1.2887622
Log P
1.3723247
Molar Refractivity
52.5334
Polarizability
20.570166
Polar Surface Area
23.47
Rotatable Bonds
4
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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