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C16H8N2O3F2S2 | Cheminformatics

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

Molecular Formula : C16H8N2O3F2S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C16H8N2O3F2S2

Smiles : [O-][N+](c1cccc(/C=C(/C(N2c(cc3)cc(F)c3F)=O)\SC2=S)c1)=O

InChI : InChI=1S/C16H8F2N2O3S2/c17-12-5-4-10(8-13(12)18)19-15(21)14(25-16(19)24)7-9-2-1-3-11(6-9)20(22)23/h1-8H

InChIK : ISTMKGZXMIARJB-UHFFFAOYSA-N

TotalMolweight : 378.379

Molweight : 378.379

MonoisotopicMass : 377.994439

CLogP : 2.1723

CLogS : -6.071

H Acceptors : 5

TotalSurfaceArea : 258.85

Relative PSA : 0.35735

PolarSurfaceArea : 123.52

Druglikeness : -3.6283

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.56

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 3

Amides : 1

AcidicOxygens : 1

StereoCon :

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