Molecule

ID:90409

General Information
Structure
Molecular Formula
C₁₅H₁₄O₅
Molecular Mass
274.26866
Exact Mass
274.08412355
Charge
0
InChI
InChI=1S/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3
InChIKey
ORUJFMPWKPVXLZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC(=O)Oc1ccccc1OC
Isomeric Smiles
O(c1c(cccc1)OC)C(=O)Oc1ccccc1OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.542414
LogD (pH = 7.4)
3.542414
Log P
3.542414
Molar Refractivity
71.518
Polarizability
28.231176
Polar Surface Area
53.99
Rotatable Bonds
6
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
References
Bioactivity
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