2-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-chloro-6-nitrophenolate

Formula:C15H9N3O5BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-chloro-6-nitrophenolate is a drug-like molecule.

MolName	2-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-chloro-6-nitrophenolate
MolecularFormula	C15H9N3O5BrCl2
Smiles	[O-]c(c([N+]([O-])=O)c1)c(/C=N\NC(COc(ccc(Cl)c2)c2Br)=O)cc1Cl
InChI	InChI=1S/C15H10BrCl2N3O5/c16-11-4-9(17)1-2-13(11)26-7-14(22)20-19-6-8-3-10(18)5-12(15(8)23)21(24)25/h1-6,23H,7H2,(H,20,22)/p-1
InChIK	KRXNPUCGIUTGGZ-UHFFFAOYSA-M
TotalMolweight	462.062
Molweight	462.062
MonoisotopicMass	459.910262
CLogP	1.8684
CLogS	-5.971
H Acceptors	8
H Donors	1
TotalSurfaceArea	291.42
Relative PSA	0.31127
PolarSurfaceArea	119.57
Druglikeness	-2.6779
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
AcidicOxygens	1
StereoCon

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1 - 2-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-chloro-6-nitrophenolate | 2 - 2-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-chloro-6-nitrophenolate

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