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MolName : [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate

MolecularFormula : C27H17N2O6Cl3S

Smiles : O=C(c(cc1)ccc1Cl)Oc1cc(OC(c(cc2)ccc2Cl)=O)c(/C=N\NS(c(cc2)ccc2Cl)(=O)=O)cc1

InChI : InChI=1S/C27H17Cl3N2O6S/c28-20-6-1-17(2-7-20)26(33)37-23-12-5-19(16-31-32-39(35,36)24-13-10-22(30)11-14-24)25(15-23)38-27(34)18-3-8-21(29)9-4-18/h1-16,32H

InChIK : JUZGSINCIGURPI-UHFFFAOYSA-N

TotalMolweight : 603.865

Molweight : 603.865

MonoisotopicMass : 601.987289

CLogP : 6.9561

CLogS : -7.064

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 419.1

Relative PSA : 0.23295

PolarSurfaceArea : 119.51

Druglikeness : 4.3596

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.51282

Fragments : 1

Non HAtoms : 39

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 9

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 24

Sp3Atoms : 3

Symmetricatoms : 7

StereoCon :