Molecule

ID:84679

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₂N₂O
Molecular Mass
243.08932
Exact Mass
242.00136825
Charge
0
InChI
InChI=1S/C10H8Cl2N2O/c11-5-1-2-8-6(3-5)9(12)7(4-14-8)10(13)15/h1-4,6,8H,(H2,13,15)
InChIKey
RZDZHWDHTIHAOK-UHFFFAOYSA-N
Canonic Smiles
ClC1=CC2C(C=C1)N=CC(=C2Cl)C(=O)N
Isomeric Smiles
N1=CC(=C(C2C1C=CC(=C2)Cl)Cl)C(=O)N
Calculated Properties
JChem
Acid pKa
2.2554173
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3025594
LogD (pH = 7.4)
-1.7704973
Log P
-0.55044985
Molar Refractivity
62.9382
Polarizability
22.648695
Polar Surface Area
55.45
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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