Molecule

ID:70193

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₃O
Molecular Mass
160.0933296
Exact Mass
160.01359938
Charge
0
InChI
InChI=1S/C7H3F3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
InChIKey
KPJIEPBITZLHPQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(F)cc(cc1F)F
Isomeric Smiles
C(=O)c1c(cc(cc1F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.113854
LogD (pH = 7.4)
2.113854
Log P
2.113854
Molar Refractivity
33.2912
Polarizability
11.603881
Polar Surface Area
17.07
Rotatable Bonds
1
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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