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C14H12N2O3S | Cheminformatics

N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiophene-2-carboxamide

Molecular Formula : C14H12N2O3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiophene-2-carboxamide is a drug-like molecule.

MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiophene-2-carboxamide

MolecularFormula : C14H12N2O3S

Smiles : O=C(c1cccs1)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C14H12N2O3S/c17-14(13-2-1-7-20-13)16-15-9-10-3-4-11-12(8-10)19-6-5-18-11/h1-4,7-9H,5-6H2,(H,16,17)

InChIK : TZFKUTWAESGNDL-UHFFFAOYSA-N

TotalMolweight : 288.326

Molweight : 288.326

MonoisotopicMass : 288.056863

CLogP : 3.047

CLogS : -3.913

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 216.95

Relative PSA : 0.35202

PolarSurfaceArea : 88.16

Druglikeness : -0.97132

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.65

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 4

StereoCon :

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