Molecule

ID:40073

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇ClO₄
Molecular Mass
296.74608
Exact Mass
296.0815367
Charge
0
InChI
InChI=1S/C15H17ClO4/c1-3-19-13(17)15(14(18)20-4-2)9-12(15)10-5-7-11(16)8-6-10/h5-8,12H,3-4,9H2,1-2H3
InChIKey
WHGBMFXPDCARTE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CC1c1ccc(cc1)Cl)C(=O)OCC
Isomeric Smiles
C1(C(C1)c1ccc(cc1)Cl)(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3344293
LogD (pH = 7.4)
3.3344293
Log P
3.3344293
Molar Refractivity
74.7449
Polarizability
29.615969
Polar Surface Area
52.6
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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