2-(4-bromo-2-cyanophenoxy)-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acetamide

Formula:C16H10N4O4BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-(4-bromo-2-cyanophenoxy)-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(4-bromo-2-cyanophenoxy)-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C16H10N4O4BrCl
Smiles	N#Cc(cc(cc1)Br)c1OCC(N/N=C/c(cc1)cc([N+]([O-])=O)c1Cl)=O
InChI	InChI=1S/C16H10BrClN4O4/c17-12-2-4-15(11(6-12)7-19)26-9-16(23)21-20-8-10-1-3-13(18)14(5-10)22(24)25/h1-6,8H,9H2,(H,21,23)
InChIK	OXLRSJXUBAYSAJ-UHFFFAOYSA-N
TotalMolweight	437.636
Molweight	437.636
MonoisotopicMass	435.957394
CLogP	3.0217
CLogS	-6.304
H Acceptors	8
H Donors	1
TotalSurfaceArea	290.18
Relative PSA	0.31012
PolarSurfaceArea	120.3
Druglikeness	-6.9593
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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1 - 2-(4-bromo-2-cyanophenoxy)-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acetamide | 2 - 2-(4-bromo-2-cyanophenoxy)-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acetamide

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