Molecule

ID:71452

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O
Molecular Mass
156.1294464
Exact Mass
156.03867125
Charge
0
InChI
InChI=1S/C8H6F2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-5,8H
InChIKey
VWWBACHLEZWOEK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)C(F)F
Isomeric Smiles
C(=O)c1cc(ccc1)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0748363
LogD (pH = 7.4)
2.0748363
Log P
2.0748363
Molar Refractivity
37.726
Polarizability
13.560223
Polar Surface Area
17.07
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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