Molecule

ID:9043

General Information
Structure
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Molecular Formula
C₇H₄F₂O
Molecular Mass
142.1028664
Exact Mass
142.02302119
Charge
0
InChI
InChI=1S/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChIKey
VVVOJODFBWBNBI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)ccc1F
Isomeric Smiles
c1(ccc(c(c1)C=O)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9711521
LogD (pH = 7.4)
1.9711521
Log P
1.9711521
Molar Refractivity
33.0748
Polarizability
11.709236
Polar Surface Area
17.07
Rotatable Bonds
1
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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