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MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-5-nitro-1-benzofuran-2-carboxamide

MolecularFormula : C18H13N3O6

Smiles : [O-][N+](c(cc1)cc2c1oc(C(N/N=C\c(cc1)cc3c1OCCO3)=O)c2)=O

InChI : InChI=1S/C18H13N3O6/c22-18(17-9-12-8-13(21(23)24)2-4-14(12)27-17)20-19-10-11-1-3-15-16(7-11)26-6-5-25-15/h1-4,7-10H,5-6H2,(H,20,22)

InChIK : IRCILNNLDGXEGM-UHFFFAOYSA-N

TotalMolweight : 367.316

Molweight : 367.316

MonoisotopicMass : 367.080437

CLogP : 2.7644

CLogS : -5.546

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 268.97

Relative PSA : 0.3738

PolarSurfaceArea : 118.88

Druglikeness : -7.455

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 5

AcidicOxygens : 1

StereoCon :