Molecule

ID:9631

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₂O
Molecular Mass
158.1453264
Exact Mass
158.05432132
Charge
0
InChI
InChI=1S/C8H8F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3
InChIKey
DJDQNISEJVPQCS-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)C)F
Isomeric Smiles
c1c(ccc(c1)C)OC(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2557542
LogD (pH = 7.4)
3.2557542
Log P
3.2557542
Molar Refractivity
37.5713
Polarizability
14.104055
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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