(E)-N-[2-(4-nitroanilino)ethyl]-3-(3-nitrophenyl)prop-2-enamide

Formula:C17H16N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(4-nitroanilino)ethyl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[2-(4-nitroanilino)ethyl]-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C17H16N4O5
Smiles	[O-][N+](c(cc1)ccc1NCCNC(/C=C/c1cccc([N+]([O-])=O)c1)=O)=O
InChI	InChI=1S/C17H16N4O5/c22-17(9-4-13-2-1-3-16(12-13)21(25)26)19-11-10-18-14-5-7-15(8-6-14)20(23)24/h1-9,12,18H,10-11H2,(H,19,22)
InChIK	NJWQKUFNDCQGNK-UHFFFAOYSA-N
TotalMolweight	356.337
Molweight	356.337
MonoisotopicMass	356.112071
CLogP	0.7264
CLogS	-4.203
H Acceptors	9
H Donors	2
TotalSurfaceArea	275.05
Relative PSA	0.35194
PolarSurfaceArea	132.77
Druglikeness	-4.0449
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	2
StereoCon

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