N-[(E)-3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

Formula:C19H15N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
MolecularFormula	C19H15N3O5S
Smiles	[O-][N+](c1cccc(/C=C(\C(NCc2ccco2)=O)/NC(c2cccs2)=O)c1)=O
InChI	InChI=1S/C19H15N3O5S/c23-18(20-12-15-6-2-8-27-15)16(21-19(24)17-7-3-9-28-17)11-13-4-1-5-14(10-13)22(25)26/h1-11H,12H2,(H,20,23)(H,21,24)
InChIK	PHSLQZMFMKKTJP-UHFFFAOYSA-N
TotalMolweight	397.41
Molweight	397.41
MonoisotopicMass	397.073242
CLogP	2.2669
CLogS	-4.841
H Acceptors	8
H Donors	2
TotalSurfaceArea	298.97
Relative PSA	0.38094
PolarSurfaceArea	145.4
Druglikeness	-0.28419
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Amides	2
AcidicOxygens	1
StereoCon

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