Molecule

ID:115247

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₂NO₂
Molecular Mass
211.1648864
Exact Mass
211.04448491
Charge
0
InChI
InChI=1S/C10H7F2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)13-15-10/h1-4,14H,5H2
InChIKey
ULPAADJUUMKRRS-UHFFFAOYSA-N
Canonic Smiles
OCc1noc(c1)c1ccc(cc1F)F
Isomeric Smiles
c1(c2c(cc(cc2)F)F)cc(no1)CO
Calculated Properties
JChem
Acid pKa
13.701803
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5045435
LogD (pH = 7.4)
1.5045434
Log P
1.5045437
Molar Refractivity
49.2402
Polarizability
19.144804
Polar Surface Area
46.26
Rotatable Bonds
2
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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