Molecule

ID:25995

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₃O₂
Molecular Mass
315.57906
Exact Mass
313.96681257
Charge
0
InChI
InChI=1S/C14H9Cl3O2/c15-10-4-5-14(9(6-10)7-18)19-8-11-12(16)2-1-3-13(11)17/h1-7H,8H2
InChIKey
YARFMPRSMRRMIV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl
Isomeric Smiles
c1(COc2c(cc(cc2)Cl)C=O)c(Cl)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.064684
LogD (pH = 7.4)
5.064684
Log P
5.064684
Molar Refractivity
78.1322
Polarizability
30.00097
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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