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C16H9N2O3BrS2 | Cheminformatics
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(5Z)-3-(4-bromophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Molecular Formula : C16H9N2O3BrS2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5Z)-3-(4-bromophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName : (5Z)-3-(4-bromophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

MolecularFormula : C16H9N2O3BrS2

Smiles : [O-][N+](c1cccc(/C=C(/C(N2c(cc3)ccc3Br)=O)\SC2=S)c1)=O

InChI : InChI=1S/C16H9BrN2O3S2/c17-11-4-6-12(7-5-11)18-15(20)14(24-16(18)23)9-10-2-1-3-13(8-10)19(21)22/h1-9H

InChIK : NPUDOPZBRYLMGW-UHFFFAOYSA-N

TotalMolweight : 421.294

Molweight : 421.294

MonoisotopicMass : 419.923794

CLogP : 2.6959

CLogS : -6.277

H Acceptors : 5

TotalSurfaceArea : 264.78

Relative PSA : 0.34935

PolarSurfaceArea : 123.52

Druglikeness : -4.0783

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.58333

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 3

Symmetricatoms : 2

Amides : 1

AcidicOxygens : 1

StereoCon :

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