Molecule

ID:62758

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂N₂O₂
Molecular Mass
321.1581
Exact Mass
320.01193293
Charge
0
InChI
InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-14(15(20)21)11-3-1-2-4-13(11)18-19/h1-7H,8H2,(H,20,21)
InChIKey
MAHJAEVCLMBXDZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)Cn1nc2c(c1C(=O)O)cccc2
Isomeric Smiles
c1(n(nc2c1cccc2)Cc1c(cc(cc1)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.222848
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0298686
LogD (pH = 7.4)
0.8450675
Log P
4.2865796
Molar Refractivity
92.3955
Polarizability
32.09392
Polar Surface Area
55.12
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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