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

MolName : N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide

MolecularFormula : C19H12N3O5Br3

Smiles : [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(COc(c(Br)cc(Br)c2)c2Br)=O)o1)=O

InChI : InChI=1S/C19H12Br3N3O5/c20-12-7-15(21)19(16(22)8-12)29-10-18(26)24-23-9-14-5-6-17(30-14)11-1-3-13(4-2-11)25(27)28/h1-9H,10H2,(H,24,26)

InChIK : WNBBIMDSINDTMW-UHFFFAOYSA-N

TotalMolweight : 602.032

Molweight : 602.032

MonoisotopicMass : 598.832705

CLogP : 4.9694

CLogS : -7.923

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 339.76

Relative PSA : 0.26648

PolarSurfaceArea : 109.65

Druglikeness : -0.45048

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : none

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

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 7

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 3

Symmetricatoms : 5

AcidicOxygens : 1

StereoCon :