Molecule

ID:43401

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂NO₂
Molecular Mass
282.12206
Exact Mass
281.00103389
Charge
0
InChI
InChI=1S/C13H9Cl2NO2/c14-11-3-1-9(5-12(11)15)6-16-7-10(8-17)2-4-13(16)18/h1-5,7-8H,6H2
InChIKey
UBIPULBVTDJCSX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(=O)n(c1)Cc1ccc(c(c1)Cl)Cl
Isomeric Smiles
n1(c(=O)ccc(c1)C=O)Cc1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.449538
LogD (pH = 7.4)
2.449538
Log P
2.449538
Molar Refractivity
72.238
Polarizability
27.102133
Polar Surface Area
37.38
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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