Molecule

ID:84029

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClO₃
Molecular Mass
256.72528
Exact Mass
256.08662208
Charge
0
InChI
InChI=1S/C13H17ClO3/c1-9(2)16-12(15)13(3,4)17-11-7-5-10(14)6-8-11/h5-9H,1-4H3
InChIKey
AKABMDSULDRXEO-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)C(Oc1ccc(cc1)Cl)(C)C)C
Isomeric Smiles
O(c1ccc(cc1)Cl)C(C(=O)OC(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8184097
LogD (pH = 7.4)
3.8184097
Log P
3.8184097
Molar Refractivity
66.5543
Polarizability
26.536003
Polar Surface Area
35.53
Rotatable Bonds
5
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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