Molecule

ID:41766

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₅
Molecular Mass
300.30594
Exact Mass
300.09977361
Charge
0
InChI
InChI=1S/C17H16O5/c1-20-14-9-8-12(11-18)10-15(14)22-16(17(19)21-2)13-6-4-3-5-7-13/h3-11,16H,1-2H3
InChIKey
OPJCEQVOQZLOKQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccccc1)Oc1cc(C=O)ccc1OC
Isomeric Smiles
O(c1c(ccc(c1)C=O)OC)C(C(=O)OC)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9307125
LogD (pH = 7.4)
2.9307125
Log P
2.9307125
Molar Refractivity
80.78
Polarizability
31.306078
Polar Surface Area
61.83
Rotatable Bonds
7
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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