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C16H10N3O2FS2 | Cheminformatics
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4-fluoro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

Molecular Formula : C16H10N3O2FS2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
4-fluoro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is a drug-like molecule.

MolName : 4-fluoro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

MolecularFormula : C16H10N3O2FS2

Smiles : O=C(c(cc1)ccc1F)NN(C(/C(/S1)=C/c2ccncc2)=O)C1=S

InChI : InChI=1S/C16H10FN3O2S2/c17-12-3-1-11(2-4-12)14(21)19-20-15(22)13(24-16(20)23)9-10-5-7-18-8-6-10/h1-9H,(H,19,21)

InChIK : ZXUOBIRVZOBWSK-UHFFFAOYSA-N

TotalMolweight : 359.404

Molweight : 359.404

MonoisotopicMass : 359.019845

CLogP : 0.5711

CLogS : -4.203

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 256.8

Relative PSA : 0.37987

PolarSurfaceArea : 119.69

Druglikeness : 2.6158

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions :

Shape Index : 0.625

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 : 2

Symmetricatoms : 4

Aromatic Nitrogens : 1

StereoCon :

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1 - 4-fluoro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
2 - 4-fluoro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
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