Molecule

ID:70042

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2
InChIKey
PRAYXGYYVXRDDW-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCCN1
Isomeric Smiles
N1C(CCCC1)CO
Calculated Properties
JChem
Acid pKa
15.120575
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.1817188
LogD (pH = 7.4)
-2.352846
Log P
0.027152717
Molar Refractivity
32.7979
Polarizability
13.196873
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
References
Bioactivity
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