Molecule

ID:56831

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₃
Molecular Mass
228.67212
Exact Mass
228.05532196
Charge
0
InChI
InChI=1S/C11H13ClO3/c1-7(2)15-9-5-4-8(11(12)13)6-10(9)14-3/h4-7H,1-3H3
InChIKey
FVHZNLYHOIKLTD-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC(C)C)C(=O)Cl
Isomeric Smiles
c1cc(cc(c1OC(C)C)OC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6221988
LogD (pH = 7.4)
2.6221988
Log P
2.6221988
Molar Refractivity
59.2665
Polarizability
22.826756
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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