Molecule

ID:77247

General Information
Structure
MolImage
Molecular Formula
C₉H₆Cl₂O₂
Molecular Mass
217.04874
Exact Mass
215.97448479
Charge
0
InChI
InChI=1S/C9H6Cl2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)
InChIKey
RCEWIEGWGDHVNK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C=C/c1cccc(c1Cl)Cl
Isomeric Smiles
O=C(/C=C/c1cccc(c1Cl)Cl)O
Calculated Properties
JChem
Acid pKa
3.4158592
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2717748
LogD (pH = 7.4)
-0.054676548
Log P
3.3441756
Molar Refractivity
52.6695
Polarizability
20.038504
Polar Surface Area
37.3
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