Molecule

ID:96540

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆Cl₂F₃NO
Molecular Mass
308.0833496
Exact Mass
306.97785384
Charge
0
InChI
InChI=1S/C12H6Cl2F3NO/c13-7-4-9(12(15,16)17)11(10(14)5-7)18-3-1-2-8(18)6-19/h1-6H
InChIKey
YTGXPUFJPDCOCX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1c(Cl)cc(cc1C(F)(F)F)Cl
Isomeric Smiles
n1(c2c(cc(cc2C(F)(F)F)Cl)Cl)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9203
LogD (pH = 7.4)
3.9203
Log P
3.9203
Molar Refractivity
77.8552
Polarizability
25.210108
Polar Surface Area
22.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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