(E)-2-cyano-N-(2-fluoro-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide

Formula:C16H9N4O5F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(2-fluoro-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(2-fluoro-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C16H9N4O5F
Smiles	N#C/C(/C(Nc(cc(cc1)[N+]([O-])=O)c1F)=O)=C\c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C16H9FN4O5/c17-14-6-5-13(21(25)26)8-15(14)19-16(22)11(9-18)7-10-1-3-12(4-2-10)20(23)24/h1-8H,(H,19,22)
InChIK	PMCIDWYGNRLIHL-UHFFFAOYSA-N
TotalMolweight	356.268
Molweight	356.268
MonoisotopicMass	356.055699
CLogP	1.2459
CLogS	-5.004
H Acceptors	9
H Donors	1
TotalSurfaceArea	262.34
Relative PSA	0.37699
PolarSurfaceArea	144.53
Druglikeness	-8.1909
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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