Molecule

ID:84754

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂N₂O₃
Molecular Mass
339.17338
Exact Mass
338.02249761
Charge
0
InChI
InChI=1S/C15H12Cl2N2O3/c16-8-14(21)18-13-5-4-10(17)7-12(13)15(19-22)9-2-1-3-11(20)6-9/h1-7,20,22H,8H2,(H,18,21)
InChIKey
HZCSFISMICPXHL-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1cc(Cl)ccc1NC(=O)CCl)\c1cccc(c1)O
Isomeric Smiles
N(c1ccc(cc1/C(=N/O)/c1cccc(c1)O)Cl)C(=O)CCl
Calculated Properties
JChem
Acid pKa
7.9707327
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
3.5161197
LogD (pH = 7.4)
3.41427
Log P
3.5176122
Molar Refractivity
86.8571
Polarizability
32.406967
Polar Surface Area
81.92
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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