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

Formula:C20H11N4O3F Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H11N4O3F
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c(ccc(F)c2)c2[N+]([O-])=O)o1
InChI	InChI=1S/C20H11FN4O3/c21-13-5-7-15(18(10-13)25(26)27)19-8-6-14(28-19)9-12(11-22)20-23-16-3-1-2-4-17(16)24-20/h1-10H,(H,23,24)
InChIK	HWMRKJHZBDOIKZ-UHFFFAOYSA-N
TotalMolweight	374.33
Molweight	374.33
MonoisotopicMass	374.081519
CLogP	2.7694
CLogS	-5.358
H Acceptors	7
H Donors	1
TotalSurfaceArea	281.84
Relative PSA	0.29467
PolarSurfaceArea	111.43
Druglikeness	-8.9566
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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