Molecule

ID:41423

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₇
Molecular Mass
296.27264
Exact Mass
296.08960285
Charge
0
InChI
InChI=1S/C14H16O7/c1-17-10-7-9(8-11(18-2)13(10)20-4)14(16)21-6-5-12(15)19-3/h5-8H,1-4H3/b6-5+
InChIKey
WBHVFAMRSLOODA-AATRIKPKSA-N
Canonic Smiles
COC(=O)/C=C/OC(=O)c1cc(OC)c(c(c1)OC)OC
Isomeric Smiles
c1(c(cc(C(=O)O/C=C/C(=O)OC)cc1OC)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.8137492
LogD (pH = 7.4)
1.8137492
Log P
1.8137492
Molar Refractivity
73.2498
Polarizability
28.466618
Polar Surface Area
80.29
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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