Molecule

ID:25938

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,9H,2-3,8H2,1H3
InChIKey
FSMCOBJDZVRWIZ-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccccc1C=O
Isomeric Smiles
c1(c(OCCCC)cccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.851976
LogD (pH = 7.4)
2.851976
Log P
2.851976
Molar Refractivity
52.9788
Polarizability
20.265615
Polar Surface Area
26.3
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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