(E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile

Formula:C20H12N4O3S Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C20H12N4O3S
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C/c(o1)ccc1Sc1nc(cccc2)c2[nH]1
InChI	InChI=1S/C20H12N4O3S/c21-12-14(13-5-7-15(8-6-13)24(25)26)11-16-9-10-19(27-16)28-20-22-17-3-1-2-4-18(17)23-20/h1-11H,(H,22,23)
InChIK	MLSLNNSMTANGOQ-UHFFFAOYSA-N
TotalMolweight	388.406
Molweight	388.406
MonoisotopicMass	388.063011
CLogP	3.1895
CLogS	-5.3
H Acceptors	7
H Donors	1
TotalSurfaceArea	292.98
Relative PSA	0.34316
PolarSurfaceArea	136.73
Druglikeness	-7.5387
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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