2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide

Formula:C19H14N5O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide is not a drug-like molecule.

MolName	2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
MolecularFormula	C19H14N5O6Br
Smiles	[O-][N+](c(cc1)ccc1-n1c(/C=N\NC(COc(ccc([N+]([O-])=O)c2)c2Br)=O)ccc1)=O
InChI	InChI=1S/C19H14BrN5O6/c20-17-10-15(25(29)30)7-8-18(17)31-12-19(26)22-21-11-16-2-1-9-23(16)13-3-5-14(6-4-13)24(27)28/h1-11H,12H2,(H,22,26)
InChIK	GIRZJBQPJPYLFX-UHFFFAOYSA-N
TotalMolweight	488.253
Molweight	488.253
MonoisotopicMass	487.012746
CLogP	1.8974
CLogS	-7.592
H Acceptors	11
H Donors	1
TotalSurfaceArea	325.68
Relative PSA	0.34918
PolarSurfaceArea	147.26
Druglikeness	-1.5667
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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