Molecule

ID:43306

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₃N₂O₂
Molecular Mass
241.45922
Exact Mass
239.92601039
Charge
0
InChI
InChI=1S/C6H3Cl3N2O2/c1-13-5(12)3-2(7)4(8)11-6(9)10-3/h1H3
InChIKey
TVFOOGACHSHHSX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(Cl)nc(c1Cl)Cl
Isomeric Smiles
c1(c(c(nc(n1)Cl)Cl)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5758796
LogD (pH = 7.4)
2.5758796
Log P
2.5758796
Molar Refractivity
50.5451
Polarizability
19.203373
Polar Surface Area
52.08
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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