Molecule

ID:17820

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₅
Molecular Mass
260.24208
Exact Mass
260.06847348
Charge
0
InChI
InChI=1S/C14H12O5/c1-17-14(16)13-7-6-11(19-13)9-18-12-5-3-2-4-10(12)8-15/h2-8H,9H2,1H3
InChIKey
SKQZGCQIJHCKTI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(o1)COc1ccccc1C=O
Isomeric Smiles
c1(c(cccc1)C=O)OCc1oc(cc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2362747
LogD (pH = 7.4)
2.2362747
Log P
2.2362747
Molar Refractivity
68.0115
Polarizability
25.676659
Polar Surface Area
65.74
Rotatable Bonds
6
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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