MolName : N-[(Z)-2,3-dihydro-1,4-dioxin-5-ylmethylideneamino]pyridine-3-carboxamide |
MolecularFormula : C11H11N3O3 |
Smiles : O=C(c1cnccc1)N/N=C\C1=COCCO1 |
InChI : InChI=1S/C11H11N3O3/c15-11(9-2-1-3-12-6-9)14-13-7-10-8-16-4-5-17-10/h1-3,6-8H,4-5H2,(H,14,15) |
InChIK : CRSOHYWEXNFKNH-UHFFFAOYSA-N |
TotalMolweight : 233.226 |
Molweight : 233.226 |
MonoisotopicMass : 233.080042 |
CLogP : -0.3977 |
CLogS : -1.998 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 184.72 |
Relative PSA : 0.3626 |
PolarSurfaceArea : 72.81 |
Druglikeness : -3.0242 |
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 : |