Molecule

ID:80024

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₅O
Molecular Mass
320.42698
Exact Mass
317.89395324
Charge
0
InChI
InChI=1S/C10H7Cl5O/c11-7-3-1-6(2-4-7)8(16)5-9(12)10(13,14)15/h1-4,9H,5H2
InChIKey
VIPJNCOQIXIPPX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)CC(C(Cl)(Cl)Cl)Cl
Isomeric Smiles
O=C(c1ccc(cc1)Cl)CC(C(Cl)(Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
12.023682
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5442176
LogD (pH = 7.4)
4.544207
Log P
4.5442176
Molar Refractivity
70.3429
Polarizability
27.19615
Polar Surface Area
17.07
Rotatable Bonds
4
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