Molecule

ID:56793

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₂
Molecular Mass
212.67272
Exact Mass
212.06040734
Charge
0
InChI
InChI=1S/C11H13ClO2/c1-7-4-5-10(8(2)6-7)14-9(3)11(12)13/h4-6,9H,1-3H3
InChIKey
OSHSCMUTODLMKA-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1ccc(cc1C)C)C
Isomeric Smiles
O(c1c(cc(cc1)C)C)C(C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4224944
LogD (pH = 7.4)
3.4224944
Log P
3.4224944
Molar Refractivity
57.0406
Polarizability
21.999214
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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