Molecule

ID:52190

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClNO
Molecular Mass
235.70936
Exact Mass
235.07639175
Charge
0
InChI
InChI=1S/C13H13NO.ClH/c1-15-11-7-8-12(13(14)9-11)10-5-3-2-4-6-10;/h2-9H,14H2,1H3;1H
InChIKey
BJOOGZLAYZGSRZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)N)c1ccccc1.Cl
Isomeric Smiles
Nc1cc(ccc1c1ccccc1)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6295385
LogD (pH = 7.4)
2.633819
Log P
2.633874
Molar Refractivity
62.3578
Polarizability
25.025394
Polar Surface Area
35.25
Rotatable Bonds
2
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