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

Formula:C15H10N3O5BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate is a drug-like molecule.

MolName	2-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
MolecularFormula	C15H10N3O5BrCl
Smiles	[O-]c(cc1)c(/C=N\NC(COc(ccc(Cl)c2)c2Br)=O)cc1[N+]([O-])=O
InChI	InChI=1S/C15H11BrClN3O5/c16-12-6-10(17)1-4-14(12)25-8-15(22)19-18-7-9-5-11(20(23)24)2-3-13(9)21/h1-7,21H,8H2,(H,19,22)/p-1
InChIK	ZSPZNVOAEYUDNW-UHFFFAOYSA-M
TotalMolweight	427.617
Molweight	427.617
MonoisotopicMass	425.949235
CLogP	1.2624
CLogS	-5.235
H Acceptors	8
H Donors	1
TotalSurfaceArea	276
Relative PSA	0.32866
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	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
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-nitrophenolate | 2 - 2-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate

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