Molecule

ID:79060

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁Cl₂NO
Molecular Mass
292.15994
Exact Mass
291.02176934
Charge
0
InChI
InChI=1S/C15H11Cl2NO/c16-14-6-3-12(9-15(14)17)10-19-13-4-1-11(2-5-13)7-8-18/h1-6,9H,7,10H2
InChIKey
NWVCDYRSZJPDJE-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl
Isomeric Smiles
N#CCc1ccc(cc1)OCc1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
14.222431
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4438343
LogD (pH = 7.4)
4.4438343
Log P
4.4438343
Molar Refractivity
77.0303
Polarizability
29.72462
Polar Surface Area
33.02
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
No Data Available
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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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