Molecule

ID:79092

General Information
Structure
Molecular Formula
C₁₂H₁₀Cl₂N₂O
Molecular Mass
269.1266
Exact Mass
268.01701831
Charge
0
InChI
InChI=1S/C12H10Cl2N2O/c1-8-2-4-9(5-3-8)7-16-12(17)11(14)10(13)6-15-16/h2-6H,7H2,1H3
InChIKey
YRIPMJIUOGUPRQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Cn1ncc(c(c1=O)Cl)Cl
Isomeric Smiles
n1(c(=O)c(c(Cl)cn1)Cl)Cc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.230169
LogD (pH = 7.4)
3.230169
Log P
3.230169
Molar Refractivity
70.094
Polarizability
25.993113
Polar Surface Area
32.67
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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