Molecule

ID:32151

General Information
Structure
Loading...
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey
VNZLQLYBRIOLFZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1CCNCC1
Isomeric Smiles
N1(CCNCC1)c1c(cccc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6008211
LogD (pH = 7.4)
-0.06333706
Log P
1.3876901
Molar Refractivity
57.7052
Polarizability
22.153334
Polar Surface Area
24.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...