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C16H10N4O4S2 | Cheminformatics

N-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

Molecular Formula : C16H10N4O4S2 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : high |

MolName : N-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

MolecularFormula : C16H10N4O4S2

Smiles : [O-][N+](c1cccc(/C=C(/C(N2NC(c3ccncc3)=O)=O)\SC2=S)c1)=O

InChI : InChI=1S/C16H10N4O4S2/c21-14(11-4-6-17-7-5-11)18-19-15(22)13(26-16(19)25)9-10-2-1-3-12(8-10)20(23)24/h1-9H,(H,18,21)

InChIK : VHHRSPRKZQNZGR-UHFFFAOYSA-N

TotalMolweight : 386.411

Molweight : 386.411

MonoisotopicMass : 386.014346

CLogP : -0.4513

CLogS : -4.349

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 274.12

Relative PSA : 0.46684

PolarSurfaceArea : 165.51

Druglikeness : -1.118

Mutagenic : none

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.57692

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 3

Symmetricatoms : 2

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

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