Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C22H14N3O6Br3 | Cheminformatics
Menu

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

Molecular Formula : C22H14N3O6Br3 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |
[4-bromo-2-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.

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

MolecularFormula : C22H14N3O6Br3

Smiles : [O-][N+](c(cc1)cc(Br)c1OCC(N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Br)=O)=O)=O

InChI : InChI=1S/C22H14Br3N3O6/c23-15-3-1-13(2-4-15)22(30)34-19-7-5-16(24)9-14(19)11-26-27-21(29)12-33-20-8-6-17(28(31)32)10-18(20)25/h1-11H,12H2,(H,27,29)

InChIK : CUVOZIIWKUGZKF-UHFFFAOYSA-N

TotalMolweight : 656.08

Molweight : 656.08

MonoisotopicMass : 652.84327

CLogP : 5.461

CLogS : -7.933

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 377.82

Relative PSA : 0.26327

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 : 0.61765

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 12

Electronegative Atoms : 12

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-bromo-2-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
2 - [4-bromo-2-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

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


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments