Molecule

ID:88489

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂N₂O
Molecular Mass
219.06792
Exact Mass
218.00136825
Charge
0
InChI
InChI=1S/C8H8Cl2N2O/c1-5(13)11-12-8-4-6(9)2-3-7(8)10/h2-4,12H,1H3,(H,11,13)
InChIKey
AUCOJRKPJQDINM-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NNc1cc(Cl)ccc1Cl
Isomeric Smiles
N(c1c(ccc(c1)Cl)Cl)NC(=O)C
Calculated Properties
JChem
Acid pKa
11.950279
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.280004
LogD (pH = 7.4)
2.2799933
Log P
2.280004
Molar Refractivity
53.7561
Polarizability
20.185057
Polar Surface Area
41.13
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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