Molecule

ID:96472

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClF₃N₂O₂
Molecular Mass
280.6309296
Exact Mass
280.02263985
Charge
0
InChI
InChI=1S/C10H8ClF3N2O2/c11-5-8(15)16-18-9(17)6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2,(H2,15,16)
InChIKey
YDYUMNDJSVVPRF-UHFFFAOYSA-N
Canonic Smiles
ClC/C(=N/OC(=O)c1ccc(cc1)C(F)(F)F)/N
Isomeric Smiles
N(=C(\N)/CCl)\OC(=O)c1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6484444
LogD (pH = 7.4)
2.6486156
Log P
2.6486177
Molar Refractivity
58.9586
Polarizability
21.718887
Polar Surface Area
64.68
Rotatable Bonds
5
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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