(1Z)-2-(benzylamino)-N-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethanimidoyl cyanide

Formula:C18H14N3O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:low (1Z)-2-(benzylamino)-N-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethanimidoyl cyanide is a drug-like molecule.

MolName	(1Z)-2-(benzylamino)-N-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethanimidoyl cyanide
MolecularFormula	C18H14N3O3Br
Smiles	N#C/C(/C(NCc1ccccc1)=O)=N/OCC(c(cc1)ccc1Br)=O
InChI	InChI=1S/C18H14BrN3O3/c19-15-8-6-14(7-9-15)17(23)12-25-22-16(10-20)18(24)21-11-13-4-2-1-3-5-13/h1-9H,11-12H2,(H,21,24)
InChIK	TXUZUXFEXGSJCL-UHFFFAOYSA-N
TotalMolweight	400.231
Molweight	400.231
MonoisotopicMass	399.021853
CLogP	2.2295
CLogS	-4.673
H Acceptors	6
H Donors	1
TotalSurfaceArea	280.81
Relative PSA	0.25857
PolarSurfaceArea	91.55
Druglikeness	-0.76493
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	1
StereoCon

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1 - (1Z)-2-(benzylamino)-N-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethanimidoyl cyanide | 2 - (1Z)-2-(benzylamino)-N-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethanimidoyl cyanide

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