Molecule

ID:91569

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClO
Molecular Mass
216.66296
Exact Mass
216.03419259
Charge
0
InChI
InChI=1S/C13H9ClO/c14-13-7-2-1-6-12(13)11-5-3-4-10(8-11)9-15/h1-9H
InChIKey
BLNRHBKEFUOWHM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)c1ccccc1Cl
Isomeric Smiles
Clc1c(cccc1)c1cc(ccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9370182
LogD (pH = 7.4)
3.9370182
Log P
3.9370182
Molar Refractivity
62.583
Polarizability
25.071018
Polar Surface Area
17.07
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