Molecule

ID:41645

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClFNO₃
Molecular Mass
311.7359032
Exact Mass
311.07244925
Charge
0
InChI
InChI=1S/C15H15ClFNO3/c1-3-21-15(20)13-8(2)18-12(19)7-9(13)14-10(16)5-4-6-11(14)17/h4-6,9H,3,7H2,1-2H3,(H,18,19)
InChIKey
JPQUMIKONAGHIJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(C)NC(=O)CC1c1c(F)cccc1Cl
Isomeric Smiles
C1(=C(NC(=O)CC1c1c(F)cccc1Cl)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
12.863614
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2879367
LogD (pH = 7.4)
2.2879353
Log P
2.2879367
Molar Refractivity
77.9528
Polarizability
29.543272
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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