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C17H10N4O5S2 | Cheminformatics

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

Molecular Formula : C17H10N4O5S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C17H10N4O5S2

Smiles : [O-][N+](c1cccc(/C=C(/C(N2/N=C\c3cc([N+]([O-])=O)ccc3)=O)\SC2=S)c1)=O

InChI : InChI=1S/C17H10N4O5S2/c22-16-15(9-11-3-1-5-13(7-11)20(23)24)28-17(27)19(16)18-10-12-4-2-6-14(8-12)21(25)26/h1-10H

InChIK : XQXVZALZZYMHOR-UHFFFAOYSA-N

TotalMolweight : 414.421

Molweight : 414.421

MonoisotopicMass : 414.009261

CLogP : 1.212

CLogS : -6.015

H Acceptors : 9

TotalSurfaceArea : 294.58

Relative PSA : 0.45634

PolarSurfaceArea : 181.7

Druglikeness : -0.25241

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.57143

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

AcidicOxygens : 2

StereoCon :

Request More Details | (5Z)-5-[(3-nitrophenyl)methylidene]-3-[(Z)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one


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