Molecule

ID:79970

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀Cl₂O
Molecular Mass
229.1025
Exact Mass
228.0108703
Charge
0
InChI
InChI=1S/C11H10Cl2O/c1-7-9(11(7,12)13)10(14)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKey
UKDORDFTBJYAHE-UHFFFAOYSA-N
Canonic Smiles
CC1C(C1(Cl)Cl)C(=O)c1ccccc1
Isomeric Smiles
ClC1(C(C1C)C(=O)c1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
12.714702
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5283325
LogD (pH = 7.4)
3.5283306
Log P
3.5283327
Molar Refractivity
58.4448
Polarizability
22.53716
Polar Surface Area
17.07
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