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MolName : N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

MolecularFormula : C16H15N3O4S

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

InChI : InChI=1S/C16H15N3O4S/c20-15(19-18-9-12-2-1-7-24-12)10-17-16(21)11-3-4-13-14(8-11)23-6-5-22-13/h1-4,7-9H,5-6,10H2,(H,17,21)(H,19,20)

InChIK : IAOCNNYYXOSTJF-UHFFFAOYSA-N

TotalMolweight : 345.378

Molweight : 345.378

MonoisotopicMass : 345.078327

CLogP : 2.1307

CLogS : -3.68

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 259.92

Relative PSA : 0.38808

PolarSurfaceArea : 117.26

Druglikeness : -0.25051

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 5

Amides : 1

StereoCon :