Molecule

ID:112303

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₄O
Molecular Mass
336.0406
Exact Mass
333.94857566
Charge
0
InChI
InChI=1S/C14H10Cl4O/c15-11-3-1-4-12(16)9(11)7-19-8-10-13(17)5-2-6-14(10)18/h1-6H,7-8H2
InChIKey
ITFCEERPJPLHPQ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1COCc1c(Cl)cccc1Cl)Cl
Isomeric Smiles
Clc1cccc(Cl)c1COCc1c(Cl)cccc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.9896746
LogD (pH = 7.4)
5.9896746
Log P
5.9896746
Molar Refractivity
81.4569
Polarizability
31.845436
Polar Surface Area
9.23
Rotatable Bonds
4
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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