Molecule

ID:38168

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-7-4-6(5-8)2-3-6/h7-8H,2-5H2,1H3
InChIKey
JDQZUWZHXPZFNU-UHFFFAOYSA-N
Canonic Smiles
OCC1(CC1)CNC
Isomeric Smiles
C1CC1(CO)CNC
Calculated Properties
JChem
Acid pKa
15.071747
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.5298333
LogD (pH = 7.4)
-2.7695847
Log P
-0.3150715
Molar Refractivity
32.8082
Polarizability
13.196873
Polar Surface Area
32.26
Rotatable Bonds
3
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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