Molecule

ID:83601

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂NO
Molecular Mass
304.17064
Exact Mass
303.02176934
Charge
0
InChI
InChI=1S/C16H11Cl2NO/c1-20-12-9-5-8-11-14(17)13(16(18)19-15(11)12)10-6-3-2-4-7-10/h2-9H,1H3
InChIKey
HCBGBBAKJVKMPV-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1nc(Cl)c(c2Cl)c1ccccc1
Isomeric Smiles
n1c(c(c(c2cccc(c12)OC)Cl)c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0487213
LogD (pH = 7.4)
5.0487213
Log P
5.0487213
Molar Refractivity
82.2496
Polarizability
34.25233
Polar Surface Area
22.12
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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