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

Formula:C20H12N4O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H12N4O3
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1
InChI	InChI=1S/C20H12N4O3/c21-12-14(20-22-17-3-1-2-4-18(17)23-20)11-16-9-10-19(27-16)13-5-7-15(8-6-13)24(25)26/h1-11H,(H,22,23)
InChIK	PNEMQWVSHGONJA-UHFFFAOYSA-N
TotalMolweight	356.34
Molweight	356.34
MonoisotopicMass	356.090941
CLogP	2.6686
CLogS	-5.044
H Acceptors	7
H Donors	1
TotalSurfaceArea	275.49
Relative PSA	0.30146
PolarSurfaceArea	111.43
Druglikeness	-7.6166
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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