Molecule

ID:84027

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(13)14-3)15-9-6-4-8(12)5-7-9/h4-7H,1-3H3
InChIKey
UXIVINXAZVEIMC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Oc1ccc(cc1)Cl)(C)C
Isomeric Smiles
O(c1ccc(cc1)Cl)C(C(=O)OC)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0450268
LogD (pH = 7.4)
3.0450268
Log P
3.0450268
Molar Refractivity
57.3869
Polarizability
22.869188
Polar Surface Area
35.53
Rotatable Bonds
4
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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