Molecule

ID:7741

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃O₂
Molecular Mass
192.1351896
Exact Mass
192.03981412
Charge
0
InChI
InChI=1S/C8H7F3O2/c9-5-1-2-6(10)8(7(5)11)13-4-3-12/h1-2,12H,3-4H2
InChIKey
KMYSVQOMALEHHV-UHFFFAOYSA-N
Canonic Smiles
OCCOc1c(F)ccc(c1F)F
Isomeric Smiles
c1cc(c(c(c1F)OCCO)F)F
Calculated Properties
JChem
Acid pKa
15.101781
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5535784
LogD (pH = 7.4)
1.5535784
Log P
1.5535784
Molar Refractivity
39.4627
Polarizability
14.694773
Polar Surface Area
29.46
Rotatable Bonds
3
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
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References
Bioactivity
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