Molecule

ID:17370

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₂O₃
Molecular Mass
202.1548264
Exact Mass
202.04415056
Charge
0
InChI
InChI=1S/C9H8F2O3/c1-13-8-4-6(5-12)2-3-7(8)14-9(10)11/h2-5,9H,1H3
InChIKey
KGPOVKAYCXTCQS-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OC(F)F
Isomeric Smiles
c1(OC(F)F)c(cc(C=O)cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.297164
LogD (pH = 7.4)
2.297164
Log P
2.297164
Molar Refractivity
45.5773
Polarizability
16.898159
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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