(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide

Formula:C18H14N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C18H14N4O5
Smiles	NC(COc1ccc(/C=C(/C(Nc(cc2)ccc2[N+]([O-])=O)=O)\C#N)cc1)=O
InChI	InChI=1S/C18H14N4O5/c19-10-13(9-12-1-7-16(8-2-12)27-11-17(20)23)18(24)21-14-3-5-15(6-4-14)22(25)26/h1-9H,11H2,(H2,20,23)(H,21,24)
InChIK	OVIZNSKDSUQBNG-UHFFFAOYSA-N
TotalMolweight	366.332
Molweight	366.332
MonoisotopicMass	366.096421
CLogP	0.7289
CLogS	-4.099
H Acceptors	9
H Donors	2
TotalSurfaceArea	282.35
Relative PSA	0.37822
PolarSurfaceArea	151.03
Druglikeness	-6.3226
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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