N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiophene-2-carboxamide
Molecular Formula : C14H12N2O3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiophene-2-carboxamide is a drug-like molecule.
MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiophene-2-carboxamide |
MolecularFormula : C14H12N2O3S |
Smiles : O=C(c1cccs1)N/N=C\c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C14H12N2O3S/c17-14(13-2-1-7-20-13)16-15-9-10-3-4-11-12(8-10)19-6-5-18-11/h1-4,7-9H,5-6H2,(H,16,17) |
InChIK : TZFKUTWAESGNDL-UHFFFAOYSA-N |
TotalMolweight : 288.326 |
Molweight : 288.326 |
MonoisotopicMass : 288.056863 |
CLogP : 3.047 |
CLogS : -3.913 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 216.95 |
Relative PSA : 0.35202 |
PolarSurfaceArea : 88.16 |
Druglikeness : -0.97132 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.65 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 4 |
StereoCon : |