Molecule

ID:86338

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClO₄
Molecular Mass
282.7195
Exact Mass
282.06588664
Charge
0
InChI
InChI=1S/C14H15ClO4/c1-3-19-14(18)12(9(2)16)8-13(17)10-4-6-11(15)7-5-10/h4-7,12H,3,8H2,1-2H3
InChIKey
FQMARORYZJGMIZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)C)CC(=O)c1ccc(cc1)Cl
Isomeric Smiles
O=C(C(CC(=O)c1ccc(cc1)Cl)C(=O)C)OCC
Calculated Properties
JChem
Acid pKa
6.4290924
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7122083
LogD (pH = 7.4)
1.7762885
Log P
2.526807
Molar Refractivity
71.5194
Polarizability
27.876438
Polar Surface Area
60.44
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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