Molecule

ID:63196

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-6(8)2-4-7-5-3-6/h7-8H,2-5H2,1H3
InChIKey
CXBLQEIODBBSQD-UHFFFAOYSA-N
Canonic Smiles
CC1(O)CCNCC1
Isomeric Smiles
C1CNCCC1(O)C
Calculated Properties
JChem
Acid pKa
14.979357
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.7921371
LogD (pH = 7.4)
-2.8606296
Log P
-0.5942422
Molar Refractivity
33.0559
Polarizability
13.196873
Polar Surface Area
32.26
Rotatable Bonds
0
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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