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MolName : 4-chloro-N-[2-oxo-2-[(2Z)-2-[(2,4,6-tribromo-3-hydroxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

MolecularFormula : C16H11N3O3Br3Cl

Smiles : Oc(c(Br)cc(Br)c1/C=N\NC(CNC(c(cc2)ccc2Cl)=O)=O)c1Br

InChI : InChI=1S/C16H11Br3ClN3O3/c17-11-5-12(18)15(25)14(19)10(11)6-22-23-13(24)7-21-16(26)8-1-3-9(20)4-2-8/h1-6,25H,7H2,(H,21,26)(H,23,24)

InChIK : HNFMSUVOHMLXES-UHFFFAOYSA-N

TotalMolweight : 568.446

Molweight : 568.446

MonoisotopicMass : 564.803902

CLogP : 4.7212

CLogS : -6.43

H Acceptors : 6

H Donors : 3

TotalSurfaceArea : 307.62

Relative PSA : 0.23929

PolarSurfaceArea : 90.79

Druglikeness : 3.5489

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

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

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 1

StereoCon :