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C20H13N2O4BrCl2S | Cheminformatics
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[4-bromo-2-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Molecular Formula : C20H13N2O4BrCl2S | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |
[4-bromo-2-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName : [4-bromo-2-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate

MolecularFormula : C20H13N2O4BrCl2S

Smiles : O=C(c(cc1)ccc1Cl)Oc(cc1)c(/C=N\NS(c(cc2)ccc2Cl)(=O)=O)cc1Br

InChI : InChI=1S/C20H13BrCl2N2O4S/c21-15-3-10-19(29-20(26)13-1-4-16(22)5-2-13)14(11-15)12-24-25-30(27,28)18-8-6-17(23)7-9-18/h1-12,25H

InChIK : PGAWZRIQSZVENJ-UHFFFAOYSA-N

TotalMolweight : 528.209

Molweight : 528.209

MonoisotopicMass : 525.915643

CLogP : 5.6448

CLogS : -5.692

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 334.8

Relative PSA : 0.22279

PolarSurfaceArea : 93.21

Druglikeness : 4.1368

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.6

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 2

Symmetricatoms : 5

StereoCon :

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