Molecule

ID:10645

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO
Molecular Mass
117.1894
Exact Mass
117.11536411
Charge
0
InChI
InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2
InChIKey
SUTWPJHCRAITLU-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCO
Isomeric Smiles
NCCCCCCO
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.8730893
LogD (pH = 7.4)
-2.4533126
Log P
0.15089886
Molar Refractivity
34.9231
Polarizability
13.926987
Polar Surface Area
46.25
Rotatable Bonds
5
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