Molecule

ID:9356

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈F₂O
Molecular Mass
206.1881264
Exact Mass
206.05432132
Charge
0
InChI
InChI=1S/C12H8F2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey
UUKHFGSOCZLVJO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1ccc(cc1)F
Isomeric Smiles
c1(Oc2ccc(cc2)F)ccc(cc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.758937
LogD (pH = 7.4)
3.758937
Log P
3.758937
Molar Refractivity
52.7316
Polarizability
19.99469
Polar Surface Area
9.23
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
References
Bioactivity
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