Molecule

ID:79878

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁ClN₂O₂
Molecular Mass
298.72374
Exact Mass
298.05090528
Charge
0
InChI
InChI=1S/C16H11ClN2O2/c17-14-11-15(20)19(13-9-5-2-6-10-13)16(21)18(14)12-7-3-1-4-8-12/h1-11H
InChIKey
JNOZCOIEUNUSGC-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(=O)n(c(=O)n1c1ccccc1)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(=O)n(c2ccccc2)c(=O)cc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.577289
LogD (pH = 7.4)
3.5772893
Log P
3.5772893
Molar Refractivity
90.1681
Polarizability
30.547358
Polar Surface Area
40.62
Rotatable Bonds
2
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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