Molecule

ID:68794

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₃
Molecular Mass
244.28574
Exact Mass
244.10994437
Charge
0
InChI
InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
InChIKey
MBRLOUHOWLUMFF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1CC=C(C)C)oc(=O)cc2
Isomeric Smiles
c1(=O)ccc2ccc(c(c2o1)CC=C(C)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3542554
LogD (pH = 7.4)
3.3542554
Log P
3.3542554
Molar Refractivity
72.2546
Polarizability
27.1772
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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