Molecule

ID:95653

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₀Cl₂F₂O
Molecular Mass
339.1635064
Exact Mass
338.00767674
Charge
0
InChI
InChI=1S/C17H10Cl2F2O/c18-14-3-1-5-16(20)12(14)9-7-11(22)8-10-13-15(19)4-2-6-17(13)21/h1-10H
InChIKey
LBUDJHCIGYIYFW-UHFFFAOYSA-N
Canonic Smiles
O=C(/C=C/c1c(F)cccc1Cl)/C=C/c1c(F)cccc1Cl
Isomeric Smiles
O=C(/C=C/c1c(cccc1Cl)F)/C=C/c1c(cccc1Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.318637
LogD (pH = 7.4)
6.318637
Log P
6.318637
Molar Refractivity
87.0696
Polarizability
32.000973
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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