Molecule

ID:111649

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃N
Molecular Mass
181.31772
Exact Mass
181.18304974
Charge
0
InChI
InChI=1S/C12H23N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-12H,1-9,13H2
InChIKey
KEHCTKVZDAEDPP-UHFFFAOYSA-N
Canonic Smiles
NC1CCCCC1C1CCCCC1
Isomeric Smiles
NC1CCCCC1C1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.11205981
LogD (pH = 7.4)
0.38292193
Log P
3.1403522
Molar Refractivity
56.555
Polarizability
22.937813
Polar Surface Area
26.02
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