Molecule

ID:26011

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClO₂
Molecular Mass
226.6993
Exact Mass
226.0760574
Charge
0
InChI
InChI=1S/C12H15ClO2/c1-9(2)5-6-15-12-4-3-11(13)7-10(12)8-14/h3-4,7-9H,5-6H2,1-2H3
InChIKey
UEQAKLJVVSXIMK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)ccc1OCCC(C)C
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCC(C)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7430396
LogD (pH = 7.4)
3.7430396
Log P
3.7430396
Molar Refractivity
62.3322
Polarizability
23.970146
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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