Molecule

ID:56757

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₃O₂
Molecular Mass
267.53626
Exact Mass
265.96681257
Charge
0
InChI
InChI=1S/C10H9Cl3O2/c1-10(2,9(13)14)15-8-4-3-6(11)5-7(8)12/h3-5H,1-2H3
InChIKey
VTYXCOYXRKCHHE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OC(C(=O)Cl)(C)C
Isomeric Smiles
C(Oc1c(cc(cc1)Cl)Cl)(C(=O)Cl)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.036507
LogD (pH = 7.4)
4.036507
Log P
4.036507
Molar Refractivity
61.2811
Polarizability
24.188637
Polar Surface Area
26.3
Rotatable Bonds
3
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