(3Z)-2-amino-4-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile

Formula:C19H9N5O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-2-amino-4-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile is a drug-like molecule.

MolName	(3Z)-2-amino-4-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
MolecularFormula	C19H9N5O3
Smiles	NC(/C(/C#N)=C/c1ccc(-c(cc2)cc(C(N3)=O)c2C3=O)o1)=C(C#N)C#N
InChI	InChI=1S/C19H9N5O3/c20-7-11(17(23)12(8-21)9-22)5-13-2-4-16(27-13)10-1-3-14-15(6-10)19(26)24-18(14)25/h1-6H,23H2,(H,24,25,26)
InChIK	XJIVNXIIFPRRQK-UHFFFAOYSA-N
TotalMolweight	355.312
Molweight	355.312
MonoisotopicMass	355.07054
CLogP	1.8119
CLogS	-5.366
H Acceptors	8
H Donors	2
TotalSurfaceArea	277.45
Relative PSA	0.38782
PolarSurfaceArea	156.7
Druglikeness	-5.3012
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Amides	1
BasicNitrogens	1
StereoCon

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1 - (3Z)-2-amino-4-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile | 2 - (3Z)-2-amino-4-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile

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