Molecule

ID:41647

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅Cl₂NO₃
Molecular Mass
328.1905
Exact Mass
327.04289871
Charge
0
InChI
InChI=1S/C15H15Cl2NO3/c1-3-21-15(20)14-8(2)18-13(19)7-11(14)10-5-4-9(16)6-12(10)17/h4-6,11H,3,7H2,1-2H3,(H,18,19)
InChIKey
JLIPNJXXCMNOJM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(C)NC(=O)CC1c1ccc(cc1Cl)Cl
Isomeric Smiles
C1(=C(NC(=O)CC1c1c(cc(cc1)Cl)Cl)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
12.863838
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7492795
LogD (pH = 7.4)
2.749278
Log P
2.7492795
Molar Refractivity
82.5412
Polarizability
31.719675
Polar Surface Area
55.4
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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