(E)-2-cyano-3-(3-nitrophenyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]prop-2-enamide

Formula:C17H9N4O5F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-(3-nitrophenyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-(3-nitrophenyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]prop-2-enamide
MolecularFormula	C17H9N4O5F3
Smiles	N#C/C(/C(Nc(cc1)c(C(F)(F)F)cc1[N+]([O-])=O)=O)=C\c1cc([N+]([O-])=O)ccc1
InChI	InChI=1S/C17H9F3N4O5/c18-17(19,20)14-8-13(24(28)29)4-5-15(14)22-16(25)11(9-21)6-10-2-1-3-12(7-10)23(26)27/h1-8H,(H,22,25)
InChIK	JTCSTEANJYBHGC-UHFFFAOYSA-N
TotalMolweight	406.275
Molweight	406.275
MonoisotopicMass	406.052505
CLogP	1.9934
CLogS	-5.468
H Acceptors	9
H Donors	1
TotalSurfaceArea	285.45
Relative PSA	0.34647
PolarSurfaceArea	144.53
Druglikeness	-14.041
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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