N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide
Molecular Formula : C15H13N3O3 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : high |N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide is a drug-like molecule.
MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide |
MolecularFormula : C15H13N3O3 |
Smiles : O=C(c1ccncc1)N/N=C\c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C15H13N3O3/c19-15(12-3-5-16-6-4-12)18-17-10-11-1-2-13-14(9-11)21-8-7-20-13/h1-6,9-10H,7-8H2,(H,18,19) |
InChIK : LEPVURQMPXHNIV-UHFFFAOYSA-N |
TotalMolweight : 283.286 |
Molweight : 283.286 |
MonoisotopicMass : 283.095692 |
CLogP : 2.1795 |
CLogS : -3.108 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 219.77 |
Relative PSA : 0.30477 |
PolarSurfaceArea : 72.81 |
Druglikeness : -2.8595 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 1 |
StereoCon : |