Molecule

ID:74644

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈ClNO
Molecular Mass
229.66172
Exact Mass
229.02944156
Charge
0
InChI
InChI=1S/C13H8ClNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H
InChIKey
XQEBKWUAXCHXRY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1Cl)Oc1ccccc1
Isomeric Smiles
N#Cc1c(cccc1Oc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9336739
LogD (pH = 7.4)
3.9336739
Log P
3.9336739
Molar Refractivity
62.8252
Polarizability
24.369953
Polar Surface Area
33.02
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