Molecule

ID:7073

General Information
Structure
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Molecular Formula
C₈H₄F₄O
Molecular Mass
192.1103728
Exact Mass
192.01982763
Charge
0
InChI
InChI=1S/C8H4F4O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-4H
InChIKey
NONOHEMDNFTKCZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1C(F)(F)F)F
Isomeric Smiles
c1c(cc(c(c1)C=O)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7062986
LogD (pH = 7.4)
2.7062986
Log P
2.7062986
Molar Refractivity
38.8321
Polarizability
13.383917
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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