(E)-N-(2-bromo-4-nitrophenyl)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enamide

Formula:C16H8N3O3BrClF Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-N-(2-bromo-4-nitrophenyl)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-N-(2-bromo-4-nitrophenyl)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enamide
MolecularFormula	C16H8N3O3BrClF
Smiles	N#C/C(/C(Nc(ccc([N+]([O-])=O)c1)c1Br)=O)=C\c(c(F)ccc1)c1Cl
InChI	InChI=1S/C16H8BrClFN3O3/c17-12-7-10(22(24)25)4-5-15(12)21-16(23)9(8-20)6-11-13(18)2-1-3-14(11)19/h1-7H,(H,21,23)
InChIK	ZLBHFEOWSOFGND-UHFFFAOYSA-N
TotalMolweight	424.613
Molweight	424.613
MonoisotopicMass	422.942158
CLogP	3.4987
CLogS	-6.114
H Acceptors	6
H Donors	1
TotalSurfaceArea	272.72
Relative PSA	0.2511
PolarSurfaceArea	98.71
Druglikeness	-9.9133
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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