Molecule

ID:3916

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₂O
Molecular Mass
144.1187464
Exact Mass
144.03867125
Charge
0
InChI
InChI=1S/C7H6F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2
InChIKey
JSFGDUIJQWWBGY-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1F)F
Isomeric Smiles
OCc1cccc(F)c1F
Calculated Properties
JChem
Acid pKa
14.394991
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
12.245358
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.26
LOG S
-1.78
Solubility (Water)
2.39e+00 g/l
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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