Molecule

ID:56745

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClO₂
Molecular Mass
226.6993
Exact Mass
226.0760574
Charge
0
InChI
InChI=1S/C12H15ClO2/c1-8-5-6-10(7-9(8)2)15-12(3,4)11(13)14/h5-7H,1-4H3
InChIKey
RSBPOYLRKIXBDV-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1ccc(c(c1)C)C)(C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1cc(c(cc1)C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8552604
LogD (pH = 7.4)
3.8552604
Log P
3.8552604
Molar Refractivity
61.7539
Polarizability
23.835087
Polar Surface Area
26.3
Rotatable Bonds
3
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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