Molecule

ID:9579

General Information
Structure
MolImage
Molecular Formula
C₇HF₅O
Molecular Mass
196.074256
Exact Mass
195.99475575
Charge
0
InChI
InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
InChIKey
QJXCFMJTJYCLFG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.399258
LogD (pH = 7.4)
2.399258
Log P
2.399258
Molar Refractivity
33.724
Polarizability
11.566771
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
References
Bioactivity
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