Molecule

ID:108122

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N
Molecular Mass
167.29114
Exact Mass
167.16739968
Charge
0
InChI
InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3
InChIKey
SZKKNEOUHLFYNA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC#N
Isomeric Smiles
CCCCCCCCCCC#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.091688
LogD (pH = 7.4)
4.091688
Log P
4.091688
Molar Refractivity
53.0579
Polarizability
20.854939
Polar Surface Area
23.79
Rotatable Bonds
8
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