Molecule

ID:95294

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂FNO₂
Molecular Mass
288.1018232
Exact Mass
286.99161208
Charge
0
InChI
InChI=1S/C12H8Cl2FNO2/c1-2-18-12(17)7-5-16-10-4-8(13)9(15)3-6(10)11(7)14/h3-5H,2H2,1H3
InChIKey
VTLWFGZACOOWFR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2c(c1Cl)cc(c(c2)Cl)F
Isomeric Smiles
n1cc(c(c2cc(c(cc12)Cl)F)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8419714
LogD (pH = 7.4)
3.8419766
Log P
3.8419766
Molar Refractivity
66.5792
Polarizability
26.748785
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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