Molecule

ID:23359

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₃N₂O
Molecular Mass
315.58236
Exact Mass
313.97804596
Charge
0
InChI
InChI=1S/C13H9Cl3N2O/c14-9-5-11(16)12(6-10(9)15)18-13(19)7-2-1-3-8(17)4-7/h1-6H,17H2,(H,18,19)
InChIKey
KXNGQSIKTJPWJZ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)Nc1cc(Cl)c(cc1Cl)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1Cl)Cl)Cl)c1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
9.841896
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.0477614
LogD (pH = 7.4)
4.0468426
Log P
4.048339
Molar Refractivity
80.7063
Polarizability
29.796967
Polar Surface Area
55.12
Rotatable Bonds
2
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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