(Z)-2-(1H-benzimidazol-2-yl)-3-[5-(9,10-dioxoanthracen-2-yl)furan-2-yl]prop-2-enenitrile

Formula:C28H15N3O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-(1H-benzimidazol-2-yl)-3-[5-(9,10-dioxoanthracen-2-yl)furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-(1H-benzimidazol-2-yl)-3-[5-(9,10-dioxoanthracen-2-yl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C28H15N3O3
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C/c1ccc(-c(cc2)cc(C(c3c4cccc3)=O)c2C4=O)o1
InChI	InChI=1S/C28H15N3O3/c29-15-17(28-30-23-7-3-4-8-24(23)31-28)13-18-10-12-25(34-18)16-9-11-21-22(14-16)27(33)20-6-2-1-5-19(20)26(21)32/h1-14H,(H,30,31)
InChIK	KXLJYBBNEXEKQV-UHFFFAOYSA-N
TotalMolweight	441.445
Molweight	441.445
MonoisotopicMass	441.111342
CLogP	5.1344
CLogS	-7.698
H Acceptors	6
H Donors	1
TotalSurfaceArea	333.58
Relative PSA	0.23596
PolarSurfaceArea	99.75
Druglikeness	-2.2746
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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