N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(2-bromo-4-nitrophenoxy)acetamide

Formula:C18H14N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(2-bromo-4-nitrophenoxy)acetamide is a drug-like molecule.

MolName	N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(2-bromo-4-nitrophenoxy)acetamide
MolecularFormula	C18H14N3O6Br
Smiles	[O-][N+](c(cc1)cc(Br)c1OCC(N/N=C\C=C\c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C18H14BrN3O6/c19-14-9-13(22(24)25)4-6-15(14)26-10-18(23)21-20-7-1-2-12-3-5-16-17(8-12)28-11-27-16/h1-9H,10-11H2,(H,21,23)
InChIK	VOAXSUQZEAOJKF-UHFFFAOYSA-N
TotalMolweight	448.228
Molweight	448.228
MonoisotopicMass	447.006598
CLogP	2.7098
CLogS	-5.798
H Acceptors	9
H Donors	1
TotalSurfaceArea	299.81
Relative PSA	0.32164
PolarSurfaceArea	114.97
Druglikeness	-2.6623
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
AcidicOxygens	1
StereoCon

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