Molecule

ID:86531

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂Cl₂N₂O₂
Molecular Mass
287.14188
Exact Mass
286.02758299
Charge
0
InChI
InChI=1S/C12H12Cl2N2O2/c1-7-3-9(4-8(2)12(7)14)17-6-10-15-11(5-13)18-16-10/h3-4H,5-6H2,1-2H3
InChIKey
ZXEJDCREXXOYLY-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)COc1cc(C)c(c(c1)C)Cl
Isomeric Smiles
n1c(onc1COc1cc(c(c(c1)C)Cl)C)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.1427617
LogD (pH = 7.4)
4.1427617
Log P
4.1427617
Molar Refractivity
71.3417
Polarizability
26.715347
Polar Surface Area
48.15
Rotatable Bonds
4
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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