Molecule

ID:8984

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O
Molecular Mass
156.1294464
Exact Mass
156.03867125
Charge
0
InChI
InChI=1S/C8H6F2O/c1-5-2-3-6(4-11)8(10)7(5)9/h2-4H,1H3
InChIKey
YCTVOFSIRYUUAN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1F)F)C
Isomeric Smiles
c1c(c(c(c(c1)C=O)F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4845734
LogD (pH = 7.4)
2.4845734
Log P
2.4845734
Molar Refractivity
38.116
Polarizability
13.442807
Polar Surface Area
17.07
Rotatable Bonds
1
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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