Molecule

ID:71492

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂N₂O₂
Molecular Mass
321.1581
Exact Mass
320.01193293
Charge
0
InChI
InChI=1S/C15H10Cl2N2O2/c16-12-6-5-9(7-13(12)17)18-8-19-14(20)10-3-1-2-4-11(10)15(19)21/h1-7,18H,8H2
InChIKey
GHFYXLZKGGGKBS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)NCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1ccc2C(=O)N(C(=O)c2c1)CNc1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
16.403708
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5096123
LogD (pH = 7.4)
3.5097861
Log P
3.5097885
Molar Refractivity
82.9134
Polarizability
30.533892
Polar Surface Area
49.41
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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