Molecule

ID:68121

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2/t6-/m0/s1
InChIKey
VUNPWIPIOOMCPT-LURJTMIESA-N
Canonic Smiles
OC[C@H]1CCCNC1
Isomeric Smiles
C(O)[C@@H]1CNCCC1
Calculated Properties
JChem
Acid pKa
15.431922
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.5895507
LogD (pH = 7.4)
-2.8573127
Log P
-0.3726614
Molar Refractivity
33.1369
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation