Molecule

ID:84995

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂O₂
Molecular Mass
257.1126
Exact Mass
256.00578492
Charge
0
InChI
InChI=1S/C12H10Cl2O2/c1-12(7-13)9(10(14)11(15)16-12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
OCKNSHIWFZSZIO-UHFFFAOYSA-N
Canonic Smiles
ClCC1(C)OC(=O)C(=C1c1ccccc1)Cl
Isomeric Smiles
O1C(C(=C(C1=O)Cl)c1ccccc1)(CCl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4463
LogD (pH = 7.4)
3.4463
Log P
3.4463
Molar Refractivity
64.0674
Polarizability
24.94416
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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