Molecule

ID:27445

General Information
Structure
Molecular Formula
C₁₅H₁₁Cl₂NO₂
Molecular Mass
308.15934
Exact Mass
307.01668396
Charge
0
InChI
InChI=1S/C15H11Cl2NO2/c1-9(19)10-3-2-4-12(7-10)18-15(20)13-6-5-11(16)8-14(13)17/h2-8H,1H3,(H,18,20)
InChIKey
WYENSOXGXSFVCY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C(=O)Nc1cccc(c1)C(=O)C
Isomeric Smiles
c1(C(=O)Nc2cc(C(=O)C)ccc2)c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
10.464586
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.830863
LogD (pH = 7.4)
3.830512
Log P
3.8308675
Molar Refractivity
81.6039
Polarizability
30.459341
Polar Surface Area
46.17
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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