Molecule

ID:40063

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClFO₃
Molecular Mass
272.6998632
Exact Mass
272.06155021
Charge
0
InChI
InChI=1S/C13H14ClFO3/c1-3-18-13(17)9(8(2)16)7-10-11(14)5-4-6-12(10)15/h4-6,9H,3,7H2,1-2H3
InChIKey
SGOJPVRMUVLHEJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)C)Cc1c(F)cccc1Cl
Isomeric Smiles
C(Cc1c(F)cccc1Cl)(C(=O)OCC)C(=O)C
Calculated Properties
JChem
Acid pKa
11.31474
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6026485
LogD (pH = 7.4)
3.6025968
Log P
3.3693159
Molar Refractivity
66.3483
Polarizability
25.692278
Polar Surface Area
43.37
Rotatable Bonds
6
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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