Molecule

ID:83593

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₂NO₂
Molecular Mass
306.14346
Exact Mass
305.00103389
Charge
0
InChI
InChI=1S/C15H9Cl2NO2/c16-10-6-7-12-11(8-10)13(19)15(17,14(20)18-12)9-4-2-1-3-5-9/h1-8H,(H,18,20)
InChIKey
NIGZEFRLLLMFTN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)C(=O)C(C(=O)N2)(Cl)c1ccccc1
Isomeric Smiles
N1C(=O)C(c2ccccc2)(C(=O)c2cc(ccc12)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.620746
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.578087
LogD (pH = 7.4)
4.578062
Log P
4.578087
Molar Refractivity
78.7955
Polarizability
29.695139
Polar Surface Area
46.17
Rotatable Bonds
1
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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