Molecule

ID:56109

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c16-14-12-9-6-10(8-4-2-1-3-5-8)11(7-9)13(12)15(17)18-14/h1-5,9-13H,6-7H2
InChIKey
QVZKCYULUXLGPJ-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C2C1C1CC2CC1c1ccccc1
Isomeric Smiles
C1(=O)C2C3CC(c4ccccc4)C(C3)C2C(=O)O1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3336396
LogD (pH = 7.4)
2.3336396
Log P
2.3336396
Molar Refractivity
64.218
Polarizability
25.558031
Polar Surface Area
43.37
Rotatable Bonds
1
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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