Molecule

ID:87996

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl₂NO₃
Molecular Mass
274.10006
Exact Mass
272.99594851
Charge
0
InChI
InChI=1S/C11H9Cl2NO3/c12-8-2-1-7(4-9(8)13)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5H2,(H,16,17)
InChIKey
WMACFMOMYRKMOJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
N1(c2ccc(c(c2)Cl)Cl)CC(CC1=O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5288222
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.07518192
LogD (pH = 7.4)
-1.4778094
Log P
1.8887665
Molar Refractivity
62.6277
Polarizability
24.456312
Polar Surface Area
57.61
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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