Molecule

ID:16570

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₄
Molecular Mass
256.25338
Exact Mass
256.07355886
Charge
0
InChI
InChI=1S/C15H12O4/c16-8-12-3-1-2-4-13(12)17-9-11-5-6-14-15(7-11)19-10-18-14/h1-8H,9-10H2
InChIKey
ZASDUQWLROGIHF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCc1ccc2c(c1)OCO2
Isomeric Smiles
c12c(ccc(c1)COc1c(cccc1)C=O)OCO2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8757834
LogD (pH = 7.4)
2.8757834
Log P
2.8757834
Molar Refractivity
69.4847
Polarizability
26.79883
Polar Surface Area
44.76
Rotatable Bonds
4
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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