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

Formula:C17H9N3O3BrF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
MolecularFormula	C17H9N3O3BrF3
Smiles	N#C/C(/C(Nc(ccc([N+]([O-])=O)c1)c1Br)=O)=C\c1cc(C(F)(F)F)ccc1
InChI	InChI=1S/C17H9BrF3N3O3/c18-14-8-13(24(26)27)4-5-15(14)23-16(25)11(9-22)6-10-2-1-3-12(7-10)17(19,20)21/h1-8H,(H,23,25)
InChIK	FENNPBCTLWZJBA-UHFFFAOYSA-N
TotalMolweight	440.174
Molweight	440.174
MonoisotopicMass	438.977937
CLogP	3.6402
CLogS	-5.842
H Acceptors	6
H Donors	1
TotalSurfaceArea	280.41
Relative PSA	0.24421
PolarSurfaceArea	98.71
Druglikeness	-15.831
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
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	1
StereoCon

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