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MolName : N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

MolecularFormula : C18H15N3O5

Smiles : [O-][N+](c1cc(/C=C/C=N\NC(c(cc2)cc3c2OCCO3)=O)ccc1)=O

InChI : InChI=1S/C18H15N3O5/c22-18(14-6-7-16-17(12-14)26-10-9-25-16)20-19-8-2-4-13-3-1-5-15(11-13)21(23)24/h1-8,11-12H,9-10H2,(H,20,22)

InChIK : GOQSLHKSTNXCFX-UHFFFAOYSA-N

TotalMolweight : 353.333

Molweight : 353.333

MonoisotopicMass : 353.101172

CLogP : 2.2771

CLogS : -4.655

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 271.18

Relative PSA : 0.31872

PolarSurfaceArea : 105.74

Druglikeness : -7.8994

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

AcidicOxygens : 1

StereoCon :