Molecule

ID:34137

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2
InChIKey
LKUAPSRIYZLAAO-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CCc1ccccc1
Isomeric Smiles
N1CCN(CC1)CCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6653519
LogD (pH = 7.4)
-0.3086033
Log P
1.6673754
Molar Refractivity
60.1111
Polarizability
23.675224
Polar Surface Area
15.27
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