Molecule

ID:121213

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)7-2-1-6(5-14-7)15-8(16)3-4-9(15)17/h1-5H
InChIKey
WBCNDLJAQBINDH-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(nc1)C(F)(F)F
Isomeric Smiles
N1(C(=O)C=CC1=O)c1cnc(C(F)(F)F)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2917547
LogD (pH = 7.4)
1.291758
Log P
1.291758
Molar Refractivity
51.4705
Polarizability
18.493362
Polar Surface Area
50.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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