Molecule

ID:81504

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂Cl₂N₂O
Molecular Mass
271.14248
Exact Mass
270.03266837
Charge
0
InChI
InChI=1S/C12H12Cl2N2O/c1-8-6-12(14)16(15-8)7-11(17)9-4-2-3-5-10(9)13/h2-6,11,17H,7H2,1H3
InChIKey
FHVNZHJHEXYFPV-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(n(n1)CC(c1ccccc1Cl)O)Cl
Isomeric Smiles
n1(c(cc(n1)C)Cl)CC(c1ccccc1Cl)O
Calculated Properties
JChem
Acid pKa
13.732726
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5493774
LogD (pH = 7.4)
2.5497098
Log P
2.5497143
Molar Refractivity
79.7387
Polarizability
26.524893
Polar Surface Area
38.05
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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