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MolName : [4-bromo-2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate

MolecularFormula : C20H13N3O6BrClS

Smiles : [O-][N+](c(cc1)ccc1S(Oc(cc1)c(/C=N\NC(c(cc2)ccc2Cl)=O)cc1Br)(=O)=O)=O

InChI : InChI=1S/C20H13BrClN3O6S/c21-15-3-10-19(31-32(29,30)18-8-6-17(7-9-18)25(27)28)14(11-15)12-23-24-20(26)13-1-4-16(22)5-2-13/h1-12H,(H,24,26)

InChIK : LMNGWZYNNHKJJK-UHFFFAOYSA-N

TotalMolweight : 538.761

Molweight : 538.761

MonoisotopicMass : 536.939695

CLogP : 4.4901

CLogS : -6.525

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 343.05

Relative PSA : 0.30611

PolarSurfaceArea : 139.03

Druglikeness : -5.1608

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.59375

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 7

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 3

Symmetricatoms : 5

AcidicOxygens : 1

StereoCon :