Molecule

ID:50129

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₂
Molecular Mass
192.25424
Exact Mass
192.11502975
Charge
0
InChI
InChI=1S/C12H16O2/c1-4-14-12-6-5-10(9(2)3)7-11(12)8-13/h5-9H,4H2,1-3H3
InChIKey
JRNUZAFECPVETB-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1C=O)C(C)C
Isomeric Smiles
c1(cc(ccc1OCC)C(C)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.129894
LogD (pH = 7.4)
3.129894
Log P
3.129894
Molar Refractivity
58.0446
Polarizability
22.02899
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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