Molecule

ID:65494

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₂O₄
Molecular Mass
216.1383464
Exact Mass
216.02341511
Charge
0
InChI
InChI=1S/C9H6F2O4/c1-13-8(12)5-2-3-6-7(4-5)15-9(10,11)14-6/h2-4H,1H3
InChIKey
MYEOSTSAKCEVAS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)OC(O2)(F)F
Isomeric Smiles
O1C(Oc2c1ccc(c2)C(=O)OC)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9927006
LogD (pH = 7.4)
2.9927006
Log P
2.9927006
Molar Refractivity
41.9201
Polarizability
16.99377
Polar Surface Area
44.76
Rotatable Bonds
2
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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