Molecule

ID:17417

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N
Molecular Mass
189.29666
Exact Mass
189.15174961
Charge
0
InChI
InChI=1S/C13H19N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,13-14H,4-5,8-11H2
InChIKey
MOUYVILUKZKNDE-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCc1ccccc1
Isomeric Smiles
c1(CCC2CCCCN2)ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.055425078
LogD (pH = 7.4)
0.431919
Log P
3.1749578
Molar Refractivity
60.4742
Polarizability
24.007336
Polar Surface Area
12.03
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