N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]thiophene-2-carboxamide

Formula:C20H14N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]thiophene-2-carboxamide
MolecularFormula	C20H14N4O3S
Smiles	[O-][N+](c1cccc(/C=C(\c2nc(cccc3)c3[nH]2)/NC(c2cccs2)=O)c1)=O
InChI	InChI=1S/C20H14N4O3S/c25-20(18-9-4-10-28-18)23-17(12-13-5-3-6-14(11-13)24(26)27)19-21-15-7-1-2-8-16(15)22-19/h1-12H,(H,21,22)(H,23,25)
InChIK	UADOWZBOXZTZQH-UHFFFAOYSA-N
TotalMolweight	390.422
Molweight	390.422
MonoisotopicMass	390.078661
CLogP	2.8794
CLogS	-4.694
H Acceptors	7
H Donors	2
TotalSurfaceArea	289.24
Relative PSA	0.34656
PolarSurfaceArea	131.84
Druglikeness	-0.93546
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.42857
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
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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