(E)-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

Formula:C20H14N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
MolecularFormula	C20H14N4O3S
Smiles	[O-][N+](c1ccc(/C=C/C(Nc(cc2)ccc2-c2nc(cccc3)c3[nH]2)=O)s1)=O
InChI	InChI=1S/C20H14N4O3S/c25-18(11-9-15-10-12-19(28-15)24(26)27)21-14-7-5-13(6-8-14)20-22-16-3-1-2-4-17(16)23-20/h1-12H,(H,21,25)(H,22,23)
InChIK	WXJSJLBMOACSDW-UHFFFAOYSA-N
TotalMolweight	390.422
Molweight	390.422
MonoisotopicMass	390.078661
CLogP	3.3431
CLogS	-6.474
H Acceptors	7
H Donors	2
TotalSurfaceArea	291.03
Relative PSA	0.34443
PolarSurfaceArea	131.84
Druglikeness	-3.6798
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64286
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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