Molecule

ID:9112

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₂O
Molecular Mass
144.1187464
Exact Mass
144.03867125
Charge
0
InChI
InChI=1S/C7H6F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChIKey
LOGIHEKXJKHXEC-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(F)cc(c1)F
Isomeric Smiles
c1(cc(cc(c1)CO)F)F
Calculated Properties
JChem
Acid pKa
14.680904
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4912999
LogD (pH = 7.4)
1.4912999
Log P
1.4912999
Molar Refractivity
33.3067
Polarizability
12.24748
Polar Surface Area
20.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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