Molecule

ID:80288

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂NO
Molecular Mass
304.17064
Exact Mass
303.02176934
Charge
0
InChI
InChI=1S/C16H11Cl2NO/c1-9-7-11(17)8-12-14(9)19-16(18)13(15(12)20)10-5-3-2-4-6-10/h2-8H,1H3,(H,19,20)
InChIKey
NZDMNCGDGMGVAH-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(C)c2c(c1)c(O)c(c(n2)Cl)c1ccccc1
Isomeric Smiles
n1c(c(c(c2cc(cc(c12)C)Cl)O)c1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
10.222344
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.41624
LogD (pH = 7.4)
5.415607
Log P
5.4162483
Molar Refractivity
82.8085
Polarizability
34.07664
Polar Surface Area
33.12
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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