Molecule

ID:93909

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₂NO₂
Molecular Mass
209.1490064
Exact Mass
209.02883485
Charge
0
InChI
InChI=1S/C10H5F2NO2/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(13)15/h1-5H
InChIKey
BVNOVCCMWCOYQL-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(c(c1)F)F
Isomeric Smiles
N1(c2ccc(c(c2)F)F)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5311346
LogD (pH = 7.4)
1.5311354
Log P
1.5311354
Molar Refractivity
48.4585
Polarizability
17.524366
Polar Surface Area
37.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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