Molecule

ID:27328

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl₃N₂O₂
Molecular Mass
269.51238
Exact Mass
267.95731051
Charge
0
InChI
InChI=1S/C8H7Cl3N2O2/c9-4-1-5(10)8(6(11)2-4)15-3-7(14)13-12/h1-2H,3,12H2,(H,13,14)
InChIKey
VQKAUKMRXXSHLT-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1c(Cl)cc(cc1Cl)Cl
Isomeric Smiles
c1(c(cc(cc1Cl)Cl)Cl)OCC(=O)NN
Calculated Properties
JChem
Acid pKa
9.992551
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.000824
LogD (pH = 7.4)
2.0012543
Log P
2.0022736
Molar Refractivity
59.3265
Polarizability
23.193855
Polar Surface Area
64.35
Rotatable Bonds
3
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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