Molecule

ID:84499

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂N₂O
Molecular Mass
267.11072
Exact Mass
266.00136825
Charge
0
InChI
InChI=1S/C12H8Cl2N2O/c13-11-5-8(6-12(14)16-11)7-15-9-1-3-10(17)4-2-9/h1-7,17H
InChIKey
XCVQHNGOJBGUFL-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)/N=C/c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)/C=N/c1ccc(cc1)O)Cl
Calculated Properties
JChem
Acid pKa
8.787432
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.9742787
LogD (pH = 7.4)
3.957375
Log P
3.9747126
Molar Refractivity
72.9438
Polarizability
26.063639
Polar Surface Area
45.48
Rotatable Bonds
2
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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