(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,2,4-triazol-4-yl)methanimine
Molecular Formula : C11H10N4O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
MolName : (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,2,4-triazol-4-yl)methanimine |
MolecularFormula : C11H10N4O2 |
Smiles : C1Oc(ccc(/C=N\n2cnnc2)c2)c2OC1 |
InChI : InChI=1S/C11H10N4O2/c1-2-10-11(17-4-3-16-10)5-9(1)6-14-15-7-12-13-8-15/h1-2,5-8H,3-4H2 |
InChIK : UKBOOMXZEDFIRX-UHFFFAOYSA-N |
TotalMolweight : 230.226 |
Molweight : 230.226 |
MonoisotopicMass : 230.080376 |
CLogP : 1.2071 |
CLogS : -4.492 |
H Acceptors : 6 |
TotalSurfaceArea : 178.52 |
Relative PSA : 0.33789 |
PolarSurfaceArea : 61.53 |
Druglikeness : -3.8214 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.64706 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 3 |
StereoCon : |