Molecule

ID:85361

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂N₂O
Molecular Mass
269.1266
Exact Mass
268.01701831
Charge
0
InChI
InChI=1S/C12H10Cl2N2O/c1-17-7-10-6-11(14)16-12(15-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3
InChIKey
ZRAKXYRMIAPBMF-UHFFFAOYSA-N
Canonic Smiles
COCc1cc(Cl)nc(n1)c1ccc(cc1)Cl
Isomeric Smiles
n1c(nc(cc1Cl)COC)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7909932
LogD (pH = 7.4)
3.7909963
Log P
3.7909963
Molar Refractivity
79.8492
Polarizability
27.002888
Polar Surface Area
35.01
Rotatable Bonds
3
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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