N-[(Z)-pyridin-3-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide
Molecular Formula : C11H11N3O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-pyridin-3-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide is a drug-like molecule.
MolName : N-[(Z)-pyridin-3-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide |
MolecularFormula : C11H11N3O3 |
Smiles : O=C(C1=COCCO1)N/N=C\c1cnccc1 |
InChI : InChI=1S/C11H11N3O3/c15-11(10-8-16-4-5-17-10)14-13-7-9-2-1-3-12-6-9/h1-3,6-8H,4-5H2,(H,14,15) |
InChIK : JLPYNOSIVMRGAO-UHFFFAOYSA-N |
TotalMolweight : 233.226 |
Molweight : 233.226 |
MonoisotopicMass : 233.080042 |
CLogP : -0.0868 |
CLogS : -2.076 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 184.72 |
Relative PSA : 0.3626 |
PolarSurfaceArea : 72.81 |
Druglikeness : -2.7823 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : low |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.70588 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 4 |
Aromatic Nitrogens : 1 |
StereoCon : |