Molecule

ID:134402

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃NO₃
Molecular Mass
303.31142
Exact Mass
303.08954328
Charge
0
InChI
InChI=1S/C19H13NO3/c21-14-6-8-16-18(10-14)23-19-11-15(7-9-17(19)20-16)22-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKey
XNZRYTITWLGTJS-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc2c(c1)oc1c(n2)ccc(c1)OCc1ccccc1
Isomeric Smiles
c1ccc(cc1)COc1ccc2c(c1)oc1cc(=O)ccc1n2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6445565
LogD (pH = 7.4)
3.6445565
Log P
3.6445565
Molar Refractivity
91.0195
Polarizability
32.996246
Polar Surface Area
47.89
Rotatable Bonds
3
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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