Molecule

ID:99080

General Information
Structure
MolImage
Molecular Formula
C₁₆H₉Cl₂FO₂
Molecular Mass
323.1458632
Exact Mass
321.99636311
Charge
0
InChI
InChI=1S/C16H9Cl2FO2/c1-8-12-7-10(19)3-5-14(12)21-16(20)15(8)11-4-2-9(17)6-13(11)18/h2-7H,1H3
InChIKey
YVFNKEDFMZPJQD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1c(=O)oc2c(c1C)cc(cc2)F
Isomeric Smiles
o1c(=O)c(c(c2c1ccc(c2)F)C)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.101633
LogD (pH = 7.4)
5.101633
Log P
5.101633
Molar Refractivity
80.1087
Polarizability
30.665602
Polar Surface Area
26.3
Rotatable Bonds
0
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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