Molecule

ID:27003

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂NO
Molecular Mass
232.10644
Exact Mass
231.02176934
Charge
0
InChI
InChI=1S/C10H11Cl2NO/c1-6-8(12)4-3-5-9(6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)
InChIKey
WYZJPDWXOMIWMT-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)C)Nc1cccc(c1C)Cl
Isomeric Smiles
N(C(=O)C(Cl)C)c1c(c(Cl)ccc1)C
Calculated Properties
JChem
Acid pKa
13.227224
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4345303
LogD (pH = 7.4)
3.4345298
Log P
3.4345303
Molar Refractivity
60.0141
Polarizability
22.546421
Polar Surface Area
29.1
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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