Molecule

ID:56760

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClO₂
Molecular Mass
238.71
Exact Mass
238.0760574
Charge
0
InChI
InChI=1S/C13H15ClO2/c1-13(2,12(14)15)16-11-7-6-9-4-3-5-10(9)8-11/h6-8H,3-5H2,1-2H3
InChIKey
GVWQBKJUJKANEE-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1ccc2c(c1)CCC2)(C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1cc2c(cc1)CCC2)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8361032
LogD (pH = 7.4)
3.8361032
Log P
3.8361032
Molar Refractivity
64.5527
Polarizability
24.948265
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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