Molecule

ID:40524

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-2-17-15(16)14-9-12-11-6-4-3-5-10(11)7-8-13(12)18-14/h3-8,14H,2,9H2,1H3
InChIKey
CBMTXLJYTRWJSM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1Oc2c(C1)c1ccccc1cc2
Isomeric Smiles
c12c(OC(C1)C(=O)OCC)ccc1c2cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0375814
LogD (pH = 7.4)
3.0375814
Log P
3.0375814
Molar Refractivity
67.6286
Polarizability
27.757338
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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