Molecule

ID:52648

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c8-5-3-6-2-1-4-7-6/h6-8H,1-5H2
InChIKey
JZXVADSBLRIAIB-UHFFFAOYSA-N
Canonic Smiles
OCCC1CCCN1
Isomeric Smiles
C1CCC(N1)CCO
Calculated Properties
JChem
Acid pKa
15.924537
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.5970464
LogD (pH = 7.4)
-3.4393616
Log P
-0.3574562
Molar Refractivity
33.0623
Polarizability
13.196873
Polar Surface Area
32.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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