4-amino-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Molecular Formula : C12H11N3OS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-amino-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide is a drug-like molecule.
MolName : 4-amino-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide |
MolecularFormula : C12H11N3OS |
Smiles : Nc(cc1)ccc1C(N/N=C\c1cscc1)=O |
InChI : InChI=1S/C12H11N3OS/c13-11-3-1-10(2-4-11)12(16)15-14-7-9-5-6-17-8-9/h1-8H,13H2,(H,15,16) |
InChIK : WAHPMWSWFTVTLB-UHFFFAOYSA-N |
TotalMolweight : 245.305 |
Molweight : 245.305 |
MonoisotopicMass : 245.062282 |
CLogP : 2.3087 |
CLogS : -3.697 |
H Acceptors : 4 |
H Donors : 2 |
TotalSurfaceArea : 191.45 |
Relative PSA : 0.3742 |
PolarSurfaceArea : 95.72 |
Druglikeness : 4.8722 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.70588 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Symmetricatoms : 2 |
Amines : 1 |
Aromatic Amines : 1 |
StereoCon : |