Molecule

ID:56752

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClO₂
Molecular Mass
226.6993
Exact Mass
226.0760574
Charge
0
InChI
InChI=1S/C12H15ClO2/c1-4-9-5-7-10(8-6-9)15-12(2,3)11(13)14/h5-8H,4H2,1-3H3
InChIKey
GRUISNOXIMVRSY-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OC(C(=O)Cl)(C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1ccc(cc1)CC)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7864077
LogD (pH = 7.4)
3.7864077
Log P
3.7864077
Molar Refractivity
61.3137
Polarizability
23.910086
Polar Surface Area
26.3
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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