Molecule

ID:107239

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey
CIPVVROJHKLHJI-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cccc(c1)C)CC
Isomeric Smiles
CCN(CC)c1cccc(C)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6897187
LogD (pH = 7.4)
3.2913647
Log P
3.308327
Molar Refractivity
55.025
Polarizability
20.649513
Polar Surface Area
3.24
Rotatable Bonds
3
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