Molecule

ID:63946

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-12-10-6-4-9(5-7-10)11-3-2-8-13-11/h4-7,11H,2-3,8H2,1H3
InChIKey
SYLBBJRVLCOCTQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1CCCO1
Isomeric Smiles
c1(ccc(OC)cc1)C1OCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.156916
LogD (pH = 7.4)
2.156916
Log P
2.156916
Molar Refractivity
51.2995
Polarizability
20.167925
Polar Surface Area
18.46
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
No Data Available
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Molecule Details
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References
Bioactivity
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