Molecule

ID:53780

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂NO
Molecular Mass
304.17064
Exact Mass
303.02176934
Charge
0
InChI
InChI=1S/C16H10ClNO.ClH/c17-16(19)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14;/h1-10H;1H
InChIKey
MHADDXHZPKUFBY-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1cccc2)c1ccccc1.Cl
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccccc1)C(=O)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.354861
LogD (pH = 7.4)
4.3548884
Log P
4.354889
Molar Refractivity
75.8582
Polarizability
31.719706
Polar Surface Area
29.96
Rotatable Bonds
2
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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