Molecule

ID:71807

General Information
Structure
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-7-5-10(6-12)8(2)9(3)11(7)13-4/h5-6H,1-4H3
InChIKey
RMFKBXSYAGJVQR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(C)c(c(c1C)C)OC
Isomeric Smiles
c1(c(c(c(c(c1)C=O)C)C)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.068341
LogD (pH = 7.4)
3.068341
Log P
3.068341
Molar Refractivity
54.2288
Polarizability
20.0322
Polar Surface Area
26.3
Rotatable Bonds
2
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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