Keyword(s): Natural Toxins
Molecule Category Free-form

Structure

InChI Key DXBKHLCWCLNLMS-UHFFFAOYSA-N
Smiles C1CCC2=C(C1)C=C3C4=C(C=CN3C2=O)C5=CC=CC=C5N4
InChI
InChI=1S/C19H16N2O/c22-19-13-6-2-1-5-12(13)11-17-18-15(9-10-21(17)19)14-7-3-4-8-16(14)20-18/h3-4,7-11,20H,1-2,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H16N2O
Molecular Weight 288.13
AlogP 3.81
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 37.27
Molecular species None
Aromatic Rings 4.0
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 865187-16-2
NORMAN SUSDAT
PubChem 11483103
ChemSpider 9657923.0