Molecule

ID:87694

General Information
Structure
MolImage
Molecular Formula
C₇H₈Cl₂N₂O₂
Molecular Mass
223.05662
Exact Mass
221.99628287
Charge
0
InChI
InChI=1S/C7H7ClN2O2.ClH/c8-4-1-2-5(7(11)12)6(3-4)10-9;/h1-3,10H,9H2,(H,11,12);1H
InChIKey
XDRADJMXOLIAHM-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(Cl)ccc1C(=O)O.Cl
Isomeric Smiles
OC(=O)c1c(cc(cc1)Cl)NN.Cl
Calculated Properties
JChem
Acid pKa
4.002507
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.9549414
LogD (pH = 7.4)
-0.641007
Log P
1.1905779
Molar Refractivity
47.8257
Polarizability
17.17864
Polar Surface Area
75.35
Rotatable Bonds
2
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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