4-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]-3H-phthalazine-1-carboxamide
Formula:C14H10N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]-3H-phthalazine-1-carboxamide is a drug-like molecule.
| MolName | 4-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]-3H-phthalazine-1-carboxamide |
| MolecularFormula | C14H10N4O2S |
| Smiles | O=C(C(c1c2cccc1)=NNC2=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C14H10N4O2S/c19-13-11-6-2-1-5-10(11)12(16-18-13)14(20)17-15-8-9-4-3-7-21-9/h1-8H,(H,17,20)(H,18,19) |
| InChIK | XTUWTKWEAXCZIV-UHFFFAOYSA-N |
| TotalMolweight | 298.325 |
| Molweight | 298.325 |
| MonoisotopicMass | 298.052446 |
| CLogP | 2.1129 |
| CLogS | -4.572 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 221.61 |
| Relative PSA | 0.41686 |
| PolarSurfaceArea | 111.16 |
| Druglikeness | 7.1657 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
Click to Load Molecule:
1 - 4-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]-3H-phthalazine-1-carboxamide | 2 - 4-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]-3H-phthalazine-1-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off