Molecule

ID:26170

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂NO
Molecular Mass
304.17064
Exact Mass
303.02176934
Charge
0
InChI
InChI=1S/C16H11Cl2NO/c17-13-6-5-11(15(18)7-13)8-19-9-12(10-20)14-3-1-2-4-16(14)19/h1-7,9-10H,8H2
InChIKey
HLTLQNRYXOUOAX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)Cc1ccc(cc1Cl)Cl
Isomeric Smiles
n1(cc(c2c1cccc2)C=O)Cc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9407487
LogD (pH = 7.4)
4.9407487
Log P
4.9407487
Molar Refractivity
82.8474
Polarizability
32.51305
Polar Surface Area
22.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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