Molecule

ID:58110

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3
InChIKey
NPWMWLAPRVMNBN-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(C1)C
Isomeric Smiles
C1C(CCN1C)CO
Calculated Properties
JChem
Acid pKa
15.429288
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.8245265
LogD (pH = 7.4)
-2.5557556
Log P
-0.43418214
Molar Refractivity
33.8306
Polarizability
13.196873
Polar Surface Area
23.47
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
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Molecule Details
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References
Bioactivity
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