Molecule

ID:88041

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(13)8-11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3
InChIKey
ZGLFZLKBBSUQPS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1cc(C)cc(c1)C
Isomeric Smiles
O=C(Cc1cc(cc(c1)C)C)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.140539
LogD (pH = 7.4)
3.140539
Log P
3.140539
Molar Refractivity
56.9657
Polarizability
21.985376
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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