N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]furan-2-carboxamide

Formula:C20H14N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]furan-2-carboxamide
MolecularFormula	C20H14N4O4
Smiles	[O-][N+](c1ccc(/C=C(\c2nc(cccc3)c3[nH]2)/NC(c2ccco2)=O)cc1)=O
InChI	InChI=1S/C20H14N4O4/c25-20(18-6-3-11-28-18)23-17(12-13-7-9-14(10-8-13)24(26)27)19-21-15-4-1-2-5-16(15)22-19/h1-12H,(H,21,22)(H,23,25)
InChIK	HNWOWFATUPXYRW-UHFFFAOYSA-N
TotalMolweight	374.355
Molweight	374.355
MonoisotopicMass	374.101506
CLogP	2.2015
CLogS	-4.366
H Acceptors	8
H Donors	2
TotalSurfaceArea	282.99
Relative PSA	0.33213
PolarSurfaceArea	116.74
Druglikeness	-2.7117
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46429
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	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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