Molecule

ID:50150

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClO₂
Molecular Mass
238.71
Exact Mass
238.0760574
Charge
0
InChI
InChI=1S/C13H15ClO2/c1-2-9-5-11(7-15)13(12(14)6-9)16-8-10-3-4-10/h5-7,10H,2-4,8H2,1H3
InChIKey
WXYULSVTOFLTHI-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(Cl)c(c(c1)C=O)OCC1CC1
Isomeric Smiles
c1(c(c(cc(c1)CC)Cl)OCC1CC1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.870689
LogD (pH = 7.4)
3.870689
Log P
3.870689
Molar Refractivity
65.4942
Polarizability
25.034533
Polar Surface Area
26.3
Rotatable Bonds
5
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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