Molecule

ID:68396

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂
Molecular Mass
194.66074
Exact Mass
194.06107604
Charge
0
InChI
InChI=1S/C10H10N2.ClH/c11-7-8-3-1-5-10-9(8)4-2-6-12-10;/h1-6H,7,11H2;1H
InChIKey
LSVBCYBGVYQEJX-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc2c1cccn2.Cl
Isomeric Smiles
NCc1c2cccnc2ccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.74533
LogD (pH = 7.4)
-0.93578094
Log P
1.2566689
Molar Refractivity
48.4527
Polarizability
20.426502
Polar Surface Area
38.91
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
暂无数据
点击上传数据
References
Bioactivity
Navigation