Molecule

ID:87040

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂N₂O₂
Molecular Mass
261.1046
Exact Mass
260.01193293
Charge
0
InChI
InChI=1S/C10H10Cl2N2O2/c1-5(15)13-9-3-7(11)8(12)4-10(9)14-6(2)16/h3-4H,1-2H3,(H,13,15)(H,14,16)
InChIKey
WDJDIFOCXRYUEX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cc(Cl)c(cc1NC(=O)C)Cl
Isomeric Smiles
N(c1c(cc(c(c1)Cl)Cl)NC(=O)C)C(=O)C
Calculated Properties
JChem
Acid pKa
12.586758
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6567559
LogD (pH = 7.4)
1.6567532
Log P
1.6567559
Molar Refractivity
65.3936
Polarizability
23.97654
Polar Surface Area
58.2
Rotatable Bonds
2
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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