(1Z)-N-(4-bromoanilino)-2-(4-bromophenyl)-2-oxoethanimidoyl cyanide

Formula:C15H9N3OBr2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1Z)-N-(4-bromoanilino)-2-(4-bromophenyl)-2-oxoethanimidoyl cyanide is a drug-like molecule.

MolName	(1Z)-N-(4-bromoanilino)-2-(4-bromophenyl)-2-oxoethanimidoyl cyanide
MolecularFormula	C15H9N3OBr2
Smiles	N#C/C(/C(c(cc1)ccc1Br)=O)=N/Nc(cc1)ccc1Br
InChI	InChI=1S/C15H9Br2N3O/c16-11-3-1-10(2-4-11)15(21)14(9-18)20-19-13-7-5-12(17)6-8-13/h1-8,19H
InChIK	RGILKGMGARDUCH-UHFFFAOYSA-N
TotalMolweight	407.064
Molweight	407.064
MonoisotopicMass	404.911234
CLogP	4.8762
CLogS	-5.247
H Acceptors	4
H Donors	1
TotalSurfaceArea	244.17
Relative PSA	0.20301
PolarSurfaceArea	65.25
Druglikeness	-3.7539
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
StereoCon

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