4-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]benzamide

Formula:C18H11N5O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]benzamide is a drug-like molecule.

MolName	4-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]benzamide
MolecularFormula	C18H11N5O2
Smiles	NC(/C(/C#N)=C/c1ccc(-c(cc2)ccc2C(N)=O)o1)=C(C#N)C#N
InChI	InChI=1S/C18H11N5O2/c19-8-13(17(22)14(9-20)10-21)7-15-5-6-16(25-15)11-1-3-12(4-2-11)18(23)24/h1-7H,22H2,(H2,23,24)
InChIK	QIZYCKIYBNZTOH-UHFFFAOYSA-N
TotalMolweight	329.318
Molweight	329.318
MonoisotopicMass	329.091275
CLogP	1.8181
CLogS	-5.084
H Acceptors	7
H Donors	2
TotalSurfaceArea	270.26
Relative PSA	0.36398
PolarSurfaceArea	153.62
Druglikeness	-6.9335
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	4
Amides	1
BasicNitrogens	1
StereoCon

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