[4-[(Z)-[[2-(4-bromo-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate

Formula:C22H15N3O6Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-(4-bromo-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-(4-bromo-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
MolecularFormula	C22H15N3O6Br2
Smiles	[O-][N+](c(cc(cc1)Br)c1OCC(N/N=C\c(cc1)ccc1OC(c1cc(Br)ccc1)=O)=O)=O
InChI	InChI=1S/C22H15Br2N3O6/c23-16-3-1-2-15(10-16)22(29)33-18-7-4-14(5-8-18)12-25-26-21(28)13-32-20-9-6-17(24)11-19(20)27(30)31/h1-12H,13H2,(H,26,28)
InChIK	RNZPKJCDTFYTDJ-UHFFFAOYSA-N
TotalMolweight	577.184
Molweight	577.184
MonoisotopicMass	574.932759
CLogP	4.7358
CLogS	-7.099
H Acceptors	9
H Donors	1
TotalSurfaceArea	359.19
Relative PSA	0.27693
PolarSurfaceArea	122.81
Druglikeness	-2.8759
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [4-[(Z)-[[2-(4-bromo-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [4-[(Z)-[[2-(4-bromo-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate

Request More Details | [4-[(Z)-[[2-(4-bromo-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments