Molecule

ID:45150

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂F₃N₂O₂
Molecular Mass
275.0121296
Exact Mass
273.95236737
Charge
0
InChI
InChI=1S/C7H3Cl2F3N2O2/c1-16-5(15)3-2(7(10,11)12)4(8)14-6(9)13-3/h1H3
InChIKey
BSMJPCAZDAOADO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(Cl)nc(c1C(F)(F)F)Cl
Isomeric Smiles
c1(c(nc(nc1Cl)Cl)C(=O)OC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8496835
LogD (pH = 7.4)
2.8496835
Log P
2.8496835
Molar Refractivity
51.714
Polarizability
18.748047
Polar Surface Area
52.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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