(E)-2-(1H-benzimidazol-2-yl)-3-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enenitrile

Formula:C22H12N4O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C22H12N4O3
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c(cc2)cc(C(N3)=O)c2C3=O)o1
InChI	InChI=1S/C22H12N4O3/c23-11-13(20-24-17-3-1-2-4-18(17)25-20)9-14-6-8-19(29-14)12-5-7-15-16(10-12)22(28)26-21(15)27/h1-10H,(H,24,25)(H,26,27,28)
InChIK	GWDOABDLMFJYER-UHFFFAOYSA-N
TotalMolweight	380.362
Molweight	380.362
MonoisotopicMass	380.090941
CLogP	2.8417
CLogS	-4.955
H Acceptors	7
H Donors	2
TotalSurfaceArea	285.28
Relative PSA	0.31608
PolarSurfaceArea	111.78
Druglikeness	-1.0209
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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