Molecule

ID:79155

General Information
Structure
Molecular Formula
C₁₁H₈Cl₂N₂O
Molecular Mass
255.10002
Exact Mass
254.00136825
Charge
0
InChI
InChI=1S/C11H8Cl2N2O/c1-7-2-4-8(5-3-7)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3
InChIKey
OWPCMQKRJFNLHF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)n1ncc(c(c1=O)Cl)Cl
Isomeric Smiles
n1(c2ccc(cc2)C)c(=O)c(c(Cl)cn1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1636546
LogD (pH = 7.4)
3.1636546
Log P
3.1636546
Molar Refractivity
65.259
Polarizability
24.147694
Polar Surface Area
32.67
Rotatable Bonds
1
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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