MolName : N-[(Z)-thiophen-2-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide |
MolecularFormula : C10H10N2O3S |
Smiles : O=C(C1=COCCO1)N/N=C\c1cccs1 |
InChI : InChI=1S/C10H10N2O3S/c13-10(9-7-14-3-4-15-9)12-11-6-8-2-1-5-16-8/h1-2,5-7H,3-4H2,(H,12,13) |
InChIK : XBXHAEVROYFGCL-UHFFFAOYSA-N |
TotalMolweight : 238.266 |
Molweight : 238.266 |
MonoisotopicMass : 238.041213 |
CLogP : 0.7807 |
CLogS : -2.881 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 181.9 |
Relative PSA : 0.41985 |
PolarSurfaceArea : 88.16 |
Druglikeness : -1.1968 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : low |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.6875 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 4 |
StereoCon : |