Molecule
ID:85204
General Information
Molecular Formula
C₁₅H₈Cl₆O₄
Molecular Mass
464.93962
Exact Mass
461.85537482
Charge
0
InChI
InChI=1S/C15H8Cl6O4/c1-5(22)24-7-3-4-8(25-6(2)23)10-9(7)13(18)11(16)12(17)14(10,19)15(13,20)21/h3-4H,1-2H3
InChIKey
WXXSGKCXJWWKBM-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(c2c1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl)OC(=O)C
Isomeric Smiles
O(c1c2c(c(cc1)OC(=O)C)C1(C(C2(C(=C1Cl)Cl)Cl)(Cl)Cl)Cl)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5545125
LogD (pH = 7.4)
4.5545125
Log P
4.5545125
Molar Refractivity
97.4942
Polarizability
38.181854
Polar Surface Area
52.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...