Molecule

ID:94501

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆ClF₂NO₂
Molecular Mass
257.6206464
Exact Mass
257.00551256
Charge
0
InChI
InChI=1S/C11H6ClF2NO2/c1-17-11(16)8-4-5(12)9-6(13)2-3-7(14)10(9)15-8/h2-4H,1H3
InChIKey
XPAFKCKYJFPOFY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Cl)c2c(n1)c(F)ccc2F
Isomeric Smiles
Fc1c2c(cc(nc2c(cc1)F)C(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2096763
LogD (pH = 7.4)
3.2096763
Log P
3.2096763
Molar Refractivity
56.8702
Polarizability
22.734724
Polar Surface Area
39.19
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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