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

Formula:C16H9N4O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C16H9N4O5Br
Smiles	N#C/C(/C(Nc(ccc([N+]([O-])=O)c1)c1Br)=O)=C\c1cc([N+]([O-])=O)ccc1
InChI	InChI=1S/C16H9BrN4O5/c17-14-8-13(21(25)26)4-5-15(14)19-16(22)11(9-18)6-10-2-1-3-12(7-10)20(23)24/h1-8H,(H,19,22)
InChIK	OKJWMYCFMMDSFA-UHFFFAOYSA-N
TotalMolweight	417.174
Molweight	417.174
MonoisotopicMass	415.975632
CLogP	1.8703
CLogS	-5.524
H Acceptors	9
H Donors	1
TotalSurfaceArea	274.62
Relative PSA	0.36013
PolarSurfaceArea	144.53
Druglikeness	-8.6409
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
Amides	1
AcidicOxygens	2
StereoCon

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