Molecule

ID:82408

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₂NO₂
Molecular Mass
246.08996
Exact Mass
245.00103389
Charge
0
InChI
InChI=1S/C10H9Cl2NO2/c1-6(14)9(12)10(15)13-8-4-2-7(11)3-5-8/h2-5,9H,1H3,(H,13,15)
InChIKey
NJPWQDYWOXAZIE-UHFFFAOYSA-N
Canonic Smiles
ClC(C(=O)C)C(=O)Nc1ccc(cc1)Cl
Isomeric Smiles
N(c1ccc(cc1)Cl)C(=O)C(C(=O)C)Cl
Calculated Properties
JChem
Acid pKa
2.3502014
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.123356886
LogD (pH = 7.4)
-0.3753274
Log P
2.6762881
Molar Refractivity
60.0102
Polarizability
22.752192
Polar Surface Area
46.17
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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