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C10H10N2O3S | Cheminformatics

N-[(Z)-thiophen-2-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide

Molecular Formula : C10H10N2O3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : N-[(Z)-thiophen-2-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide

MolecularFormula : C10H10N2O3S

Smiles : O=C(C1=COCCO1)N/N=C\c1cccs1

InChI : InChI=1S/C10H10N2O3S/c13-10(9-7-14-3-4-15-9)12-11-6-8-2-1-5-16-8/h1-2,5-7H,3-4H2,(H,12,13)

InChIK : XBXHAEVROYFGCL-UHFFFAOYSA-N

TotalMolweight : 238.266

Molweight : 238.266

MonoisotopicMass : 238.041213

CLogP : 0.7807

CLogS : -2.881

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 181.9

Relative PSA : 0.41985

PolarSurfaceArea : 88.16

Druglikeness : -1.1968

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : low

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

Shape Index : 0.6875

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 4

StereoCon :

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