Molecule

ID:53381

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁N₃O₃
Molecular Mass
281.26614
Exact Mass
281.08004123
Charge
0
InChI
InChI=1S/C15H11N3O3/c1-2-8-18-13-11(14(19)21-15(18)20)9-16-12(17-13)10-6-4-3-5-7-10/h2-7,9H,1,8H2
InChIKey
GGKUZJDSFNXJIF-UHFFFAOYSA-N
Canonic Smiles
C=CCn1c(=O)oc(=O)c2c1nc(nc2)c1ccccc1
Isomeric Smiles
n1c(nc2c(c1)c(=O)oc(=O)n2CC=C)c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.0682573
LogD (pH = 7.4)
3.0682588
Log P
3.0682588
Molar Refractivity
86.4938
Polarizability
29.003824
Polar Surface Area
72.39
Rotatable Bonds
3
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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