Molecule

ID:55990

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂N₂O
Molecular Mass
219.06792
Exact Mass
218.00136825
Charge
0
InChI
InChI=1S/C8H8Cl2N2O/c1-4(13)12-8-3-6(10)5(9)2-7(8)11/h2-3H,11H2,1H3,(H,12,13)
InChIKey
RFAVPISRRMQCOS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cc(Cl)c(cc1N)Cl
Isomeric Smiles
c1(cc(c(cc1N)Cl)Cl)NC(=O)C
Calculated Properties
JChem
Acid pKa
13.770523
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5899879
LogD (pH = 7.4)
1.5901177
Log P
1.5901196
Molar Refractivity
55.231
Polarizability
20.193707
Polar Surface Area
55.12
Rotatable Bonds
1
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
References
Bioactivity
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