Molecule

ID:89056

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-8-6-9(2)11(12(4)5)10(3)7-8/h6-7H,1-5H3
InChIKey
JZBZLRKFJWQZHU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)N(C)C
Isomeric Smiles
N(c1c(cc(cc1C)C)C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1522655
LogD (pH = 7.4)
3.6110234
Log P
3.621554
Molar Refractivity
55.6102
Polarizability
20.486362
Polar Surface Area
3.24
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