N-[(Z)-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienylidene]amino]-3-nitrobenzamide

Formula:C16H13N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienylidene]amino]-3-nitrobenzamide is a drug-like molecule.

MolName	N-[(Z)-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienylidene]amino]-3-nitrobenzamide
MolecularFormula	C16H13N3O4
Smiles	[O-][N+](c1cc(C(N/N=C\C=C\C=C\c2ccco2)=O)ccc1)=O
InChI	InChI=1S/C16H13N3O4/c20-16(13-6-4-7-14(12-13)19(21)22)18-17-10-3-1-2-8-15-9-5-11-23-15/h1-12H,(H,18,20)
InChIK	IQDCEWKFMKIQEL-UHFFFAOYSA-N
TotalMolweight	311.296
Molweight	311.296
MonoisotopicMass	311.090607
CLogP	2.1436
CLogS	-4.467
H Acceptors	7
H Donors	1
TotalSurfaceArea	253.35
Relative PSA	0.3179
PolarSurfaceArea	100.42
Druglikeness	-0.78402
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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1 - N-[(Z)-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienylidene]amino]-3-nitrobenzamide | 2 - N-[(Z)-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienylidene]amino]-3-nitrobenzamide

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