Molecule

ID:33799

General Information
Structure
Molecular Formula
C₁₆H₁₀Cl₂N₂O₃
Molecular Mass
349.1682
Exact Mass
348.00684755
Charge
0
InChI
InChI=1S/C16H10Cl2N2O3/c17-12-3-1-9(6-13(12)18)5-11-7-19-14-4-2-10(16(22)23)8-20(14)15(11)21/h1-4,6-8H,5H2,(H,22,23)
InChIKey
ZWSXIHWMGFHQFF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2n(c1)c(=O)c(cn2)Cc1ccc(c(c1)Cl)Cl
Isomeric Smiles
n12c(=O)c(cnc2ccc(c1)C(=O)O)Cc1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.246139
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.92123884
LogD (pH = 7.4)
-0.28184193
Log P
3.1551325
Molar Refractivity
87.591
Polarizability
32.87196
Polar Surface Area
69.97
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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