Molecule
ID:119753
General Information
Molecular Formula
C₁₅H₁₆O₅
Molecular Mass
276.28454
Exact Mass
276.09977361
Charge
0
InChI
InChI=1S/C15H16O5/c1-8-10-5-6-12(18-3)9(2)14(10)20-15(17)11(8)7-13(16)19-4/h5-6H,7H2,1-4H3
InChIKey
OELIOHSMZRDCTF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)OC
Isomeric Smiles
c12oc(=O)c(c(c1ccc(c2C)OC)C)CC(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1042757
LogD (pH = 7.4)
2.1042757
Log P
2.1042757
Molar Refractivity
72.7276
Polarizability
28.144806
Polar Surface Area
61.83
Rotatable Bonds
4
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
No Data Available
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Related Proteins
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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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