Molecule

ID:97651

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₂O₃
Molecular Mass
200.1389464
Exact Mass
200.02850049
Charge
0
InChI
InChI=1S/C9H6F2O3/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4H,1H3
InChIKey
HSOUCZHPVUQOOZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=O)c1ccc(c(c1)F)F
Isomeric Smiles
Fc1c(cc(cc1)C(=O)C(=O)OC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1551187
LogD (pH = 7.4)
2.1551187
Log P
2.1551187
Molar Refractivity
43.4576
Polarizability
16.266623
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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