N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
Formula:C16H14N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide |
| MolecularFormula | C16H14N4O2 |
| Smiles | O=C(CC(NN1)=CC1=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C16H14N4O2/c21-15(8-13-9-16(22)20-18-13)19-17-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9-10H,8H2,(H,19,21)(H2,18,20,22) |
| InChIK | PJDUKSBRWQYPCT-UHFFFAOYSA-N |
| TotalMolweight | 294.313 |
| Molweight | 294.313 |
| MonoisotopicMass | 294.111676 |
| CLogP | 1.0256 |
| CLogS | -4.727 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 227.47 |
| Relative PSA | 0.31639 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 3.4061 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off