Molecule

ID:96756

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂FNO₃
Molecular Mass
316.1119232
Exact Mass
314.9865267
Charge
0
InChI
InChI=1S/C13H8Cl2FNO3/c1-19-7-3-2-4-8(5-7)20-13(18)9-6-10(16)12(15)17-11(9)14/h2-6H,1H3
InChIKey
JOBAMSDBQDCYAS-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)OC(=O)c1cc(F)c(nc1Cl)Cl
Isomeric Smiles
n1c(c(cc(c1Cl)F)C(=O)Oc1cccc(c1)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.050483
LogD (pH = 7.4)
4.050483
Log P
4.050483
Molar Refractivity
74.1158
Polarizability
27.880764
Polar Surface Area
48.42
Rotatable Bonds
4
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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