Molecule

ID:26012

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClO₂
Molecular Mass
226.6993
Exact Mass
226.0760574
Charge
0
InChI
InChI=1S/C12H15ClO2/c1-2-3-4-7-15-12-6-5-11(13)8-10(12)9-14/h5-6,8-9H,2-4,7H2,1H3
InChIKey
CHJJJWLNRWOAJS-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1C=O)Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCCCC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9005892
LogD (pH = 7.4)
3.9005892
Log P
3.9005892
Molar Refractivity
62.3846
Polarizability
23.970146
Polar Surface Area
26.3
Rotatable Bonds
6
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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