Molecule

ID:114738

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-14-10-4-2-3-9-8(5-6-12)7-13-11(9)10/h2-4,7,13H,5-6,12H2,1H3
InChIKey
ZUJIGHUQQNOCAM-UHFFFAOYSA-N
Canonic Smiles
NCCc1c[nH]c2c1cccc2OC
Isomeric Smiles
[nH]1c2c(c(c1)CCN)cccc2OC
Calculated Properties
JChem
Acid pKa
16.298803
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.6794046
LogD (pH = 7.4)
-0.9502932
Log P
1.3287662
Molar Refractivity
56.8361
Polarizability
23.231585
Polar Surface Area
51.04
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
暂无数据
点击上传数据
References
Bioactivity
Navigation