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

MolecularFormula : C16H15N3O5

Smiles : O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\c1ccco1

InChI : InChI=1S/C16H15N3O5/c20-15(19-18-9-12-2-1-5-22-12)10-17-16(21)11-3-4-13-14(8-11)24-7-6-23-13/h1-5,8-9H,6-7,10H2,(H,17,21)(H,19,20)

InChIK : VBEXNLFHSMXNBL-UHFFFAOYSA-N

TotalMolweight : 329.311

Molweight : 329.311

MonoisotopicMass : 329.101172

CLogP : 1.4528

CLogS : -3.352

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 253.67

Relative PSA : 0.373

PolarSurfaceArea : 102.16

Druglikeness : -1.8017

Mutagenic : high

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 :