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

MolName : [2-bromo-4-nitro-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate

MolecularFormula : C22H12N3O6Br5

Smiles : [O-][N+](c(cc1Br)cc(/C=N\NC(COc(c(Br)cc(Br)c2)c2Br)=O)c1OC(c(cc1)ccc1Br)=O)=O

InChI : InChI=1S/C22H12Br5N3O6/c23-13-3-1-11(2-4-13)22(32)36-20-12(5-15(30(33)34)8-18(20)27)9-28-29-19(31)10-35-21-16(25)6-14(24)7-17(21)26/h1-9H,10H2,(H,29,31)

InChIK : UXCFFWKLKTWXGI-UHFFFAOYSA-N

TotalMolweight : 813.872

Molweight : 813.872

MonoisotopicMass : 808.664292

CLogP : 6.9114

CLogS : -9.601

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 415.08

Relative PSA : 0.23964

PolarSurfaceArea : 122.81

Druglikeness : -2.8759

Mutagenic : low

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring

Shape Index : 0.55556

Fragments : 1

Non HAtoms : 36

NonCHAtoms : 14

Electronegative Atoms : 14

Rotatable Bond : 9

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 4

Symmetricatoms : 5

AcidicOxygens : 1

StereoCon :