Molecule

ID:91686

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClN
Molecular Mass
219.70996
Exact Mass
219.08147713
Charge
0
InChI
InChI=1S/C13H13N.ClH/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14;/h2-9H,14H2,1H3;1H
InChIKey
XQQQQDWLXLNRDW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1c1ccccc1C.Cl
Isomeric Smiles
Nc1c(cccc1)c1c(cccc1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.287414
LogD (pH = 7.4)
3.3047411
Log P
3.3049667
Molar Refractivity
60.9358
Polarizability
24.35883
Polar Surface Area
26.02
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