Molecule

ID:17064

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-3-7-14-11-9(8-12)5-4-6-10(11)13-2/h4-6,8H,3,7H2,1-2H3
InChIKey
FULGZQOQNLDCDB-UHFFFAOYSA-N
Canonic Smiles
CCCOc1c(OC)cccc1C=O
Isomeric Smiles
c1(c(C=O)cccc1OC)OCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.249736
LogD (pH = 7.4)
2.249736
Log P
2.249736
Molar Refractivity
54.841
Polarizability
20.944696
Polar Surface Area
35.53
Rotatable Bonds
5
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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