Molecule

ID:28218

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₃
Molecular Mass
256.29644
Exact Mass
256.10994437
Charge
0
InChI
InChI=1S/C16H16O3/c1-18-16-11-14(12-17)7-8-15(16)19-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3
InChIKey
LMQXMNKNBDWQMB-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OCCc1ccccc1
Isomeric Smiles
c1(c(ccc(c1)C=O)OCCc1ccccc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.38354
LogD (pH = 7.4)
3.38354
Log P
3.38354
Molar Refractivity
74.936
Polarizability
28.616732
Polar Surface Area
35.53
Rotatable Bonds
6
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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