Molecule

ID:8642

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₂O
Molecular Mass
144.1187464
Exact Mass
144.03867125
Charge
0
InChI
InChI=1S/C7H6F2O/c8-7(9)10-6-4-2-1-3-5-6/h1-5,7H
InChIKey
LMVBQQAXGZVBFH-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccccc1)F
Isomeric Smiles
c1cccc(c1)OC(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7423327
LogD (pH = 7.4)
2.7423327
Log P
2.7423327
Molar Refractivity
32.5301
Polarizability
12.365204
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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