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

C23H15N2O5Br3 | Cheminformatics
Menu

[2,4-dibromo-6-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate

Molecular Formula : C23H15N2O5Br3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
[2,4-dibromo-6-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.

MolName : [2,4-dibromo-6-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate

MolecularFormula : C23H15N2O5Br3

Smiles : O=C(c(cc1)cc2c1OCCO2)N/N=C\c1cc(Br)cc(Br)c1OC(c1cc(Br)ccc1)=O

InChI : InChI=1S/C23H15Br3N2O5/c24-16-3-1-2-14(8-16)23(30)33-21-15(9-17(25)11-18(21)26)12-27-28-22(29)13-4-5-19-20(10-13)32-7-6-31-19/h1-5,8-12H,6-7H2,(H,28,29)

InChIK : SRICXWCKNPAWPY-UHFFFAOYSA-N

TotalMolweight : 639.093

Molweight : 639.093

MonoisotopicMass : 635.853106

CLogP : 6.7865

CLogS : -7.875

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 364.41

Relative PSA : 0.21693

PolarSurfaceArea : 86.22

Druglikeness : -4.8843

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.54545

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 5

StereoCon :

Click to Load Molecule:
1 - [2,4-dibromo-6-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
2 - [2,4-dibromo-6-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | [2,4-dibromo-6-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate


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