Molecule

ID:95305

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂FO
Molecular Mass
309.1623432
Exact Mass
308.01709855
Charge
0
InChI
InChI=1S/C16H11Cl2FO/c1-10-9-11(5-7-13(10)17)16(20)8-6-12-14(18)3-2-4-15(12)19/h2-9H,1H3
InChIKey
GNGXZQIBNVGQAL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(c(c1)C)Cl)/C=C/c1c(F)cccc1Cl
Isomeric Smiles
O=C(c1ccc(c(c1)C)Cl)/C=C/c1c(cccc1Cl)F
Calculated Properties
JChem
Acid pKa
15.471879
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.754538
LogD (pH = 7.4)
5.754538
Log P
5.754538
Molar Refractivity
81.7442
Polarizability
30.516281
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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