Molecule

ID:56759

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₃
Molecular Mass
228.67212
Exact Mass
228.05532196
Charge
0
InChI
InChI=1S/C11H13ClO3/c1-11(2,10(12)13)15-9-6-4-8(14-3)5-7-9/h4-7H,1-3H3
InChIKey
LOELRKBKJAKQRX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OC(C(=O)Cl)(C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1ccc(cc1)OC)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6707463
LogD (pH = 7.4)
2.6707463
Log P
2.6707463
Molar Refractivity
58.1347
Polarizability
22.853607
Polar Surface Area
35.53
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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