[4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

Formula:C22H16N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is a drug-like molecule.

MolName	[4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormula	C22H16N3O6Br
Smiles	[O-][N+](c(cccc1)c1OCC(N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O)=O)=O
InChI	InChI=1S/C22H16BrN3O6/c23-18-6-2-1-5-17(18)22(28)32-16-11-9-15(10-12-16)13-24-25-21(27)14-31-20-8-4-3-7-19(20)26(29)30/h1-13H,14H2,(H,25,27)
InChIK	XQFRVYBHRLWJLK-UHFFFAOYSA-N
TotalMolweight	498.288
Molweight	498.288
MonoisotopicMass	497.022248
CLogP	4.0106
CLogS	-6.265
H Acceptors	9
H Donors	1
TotalSurfaceArea	340.56
Relative PSA	0.29208
PolarSurfaceArea	122.81
Druglikeness	-2.8759
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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