Molecule

ID:127537

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈O₅
Molecular Mass
326.34322
Exact Mass
326.11542368
Charge
0
InChI
InChI=1S/C19H18O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-8,10-11H,9H2,1-3H3
InChIKey
OUTLLBZGJYDUQE-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc2c(o1)cc(cc2)OC/C=C(/C1=CC(=O)C(O1)(C)C)\C
Isomeric Smiles
C/C(=C\COc1cc2c(cc1)ccc(=O)o2)/C1=CC(=O)C(O1)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0281186
LogD (pH = 7.4)
3.0281186
Log P
3.0281186
Molar Refractivity
91.9334
Polarizability
34.351204
Polar Surface Area
61.83
Rotatable Bonds
4
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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