Molecule

ID:28232

General Information
Structure
Molecular Formula
C₁₀H₁₁Cl₂NO
Molecular Mass
232.10644
Exact Mass
231.02176934
Charge
0
InChI
InChI=1S/C10H11Cl2NO/c11-5-4-10(14)13-7-8-2-1-3-9(12)6-8/h1-3,6H,4-5,7H2,(H,13,14)
InChIKey
YULIOQXLKNFWAF-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)NCc1cccc(c1)Cl
Isomeric Smiles
C(=O)(NCc1cc(Cl)ccc1)CCCl
Calculated Properties
JChem
Acid pKa
13.094958
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.296262
LogD (pH = 7.4)
2.2962613
Log P
2.296262
Molar Refractivity
58.2326
Polarizability
22.623243
Polar Surface Area
29.1
Rotatable Bonds
4
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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