Molecule

ID:10186

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₃N₂O₂
Molecular Mass
242.1541096
Exact Mass
242.03031207
Charge
0
InChI
InChI=1S/C10H5F3N2O2/c11-10(12,13)7-6(9(16)17)4-5-2-1-3-14-8(5)15-7/h1-4H,(H,16,17)
InChIKey
VADNFSJODZWNRD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2cccnc2nc1C(F)(F)F
Isomeric Smiles
c1cnc2c(c1)cc(c(n2)C(F)(F)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5820827
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.2467897
LogD (pH = 7.4)
-1.1897243
Log P
2.1595144
Molar Refractivity
52.2531
Polarizability
19.025244
Polar Surface Area
63.08
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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