Molecule

ID:126163

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₄Cl₆O₈
Molecular Mass
677.18196
Exact Mass
673.96023381
Charge
0
InChI
InChI=1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKey
TZZLVFUOAYMTHA-UHFFFAOYSA-N
Canonic Smiles
CCCCCOC(=O)c1c(OC(=O)C(=O)Oc2c(Cl)cc(c(c2C(=O)OCCCCC)Cl)Cl)c(Cl)cc(c1Cl)Cl
Isomeric Smiles
Clc1c(C(=O)OCCCCC)c(OC(=O)C(=O)Oc2c(C(=O)OCCCCC)c(Cl)c(Cl)cc2Cl)c(Cl)cc1Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
10.978778
LogD (pH = 7.4)
10.978778
Log P
10.978778
Molar Refractivity
153.3606
Polarizability
60.476135
Polar Surface Area
105.2
Rotatable Bonds
17
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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