Molecule

ID:75201

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂O
Molecular Mass
255.10002
Exact Mass
254.00136825
Charge
0
InChI
InChI=1S/C11H8Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7H,6H2
InChIKey
YAEYBUZMILPYLT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C(=O)Cn1cncc1
Isomeric Smiles
Clc1ccc(c(c1)Cl)C(=O)Cn1cncc1
Calculated Properties
JChem
Acid pKa
14.707783
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.993871
LogD (pH = 7.4)
2.4583912
Log P
2.5187635
Molar Refractivity
63.4208
Polarizability
24.28255
Polar Surface Area
34.89
Rotatable Bonds
3
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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