Molecule

ID:50123

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClO₂
Molecular Mass
238.71
Exact Mass
238.0760574
Charge
0
InChI
InChI=1S/C13H15ClO2/c1-8-5-12(16-7-10-3-4-10)11(6-15)9(2)13(8)14/h5-6,10H,3-4,7H2,1-2H3
InChIKey
QDOSMLQKCUADOG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(OCC2CC2)cc(c(c1C)Cl)C
Isomeric Smiles
c1(c(c(c(cc1OCC1CC1)C)Cl)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9395416
LogD (pH = 7.4)
3.9395416
Log P
3.9395416
Molar Refractivity
65.9344
Polarizability
24.933794
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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