Molecule

ID:95572

General Information
Structure
MolImage
Molecular Formula
C₁₄H₆Cl₂F₂O₃
Molecular Mass
331.0984464
Exact Mass
329.96620585
Charge
0
InChI
InChI=1S/C14H6Cl2F2O3/c15-8-4-7(6-19)13(9(16)5-8)21-14(20)12-10(17)2-1-3-11(12)18/h1-6H
InChIKey
FLDMKNUXCUOARR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)cc(c1OC(=O)c1c(F)cccc1F)Cl
Isomeric Smiles
O(c1c(cc(cc1C=O)Cl)Cl)C(=O)c1c(cccc1F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.840677
LogD (pH = 7.4)
4.840677
Log P
4.840677
Molar Refractivity
74.4873
Polarizability
27.771273
Polar Surface Area
43.37
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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