4-[5-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]furan-2-yl]benzamide
Formula:C13H11N7O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]furan-2-yl]benzamide is a drug-like molecule.
| MolName | 4-[5-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]furan-2-yl]benzamide |
| MolecularFormula | C13H11N7O2 |
| Smiles | NC(c(cc1)ccc1-c1ccc(/C=N\Nc2n[nH]nn2)o1)=O |
| InChI | InChI=1S/C13H11N7O2/c14-12(21)9-3-1-8(2-4-9)11-6-5-10(22-11)7-15-16-13-17-19-20-18-13/h1-7H,(H2,14,21)(H2,16,17,18,19,20) |
| InChIK | MECKIHJOZZEZLG-UHFFFAOYSA-N |
| TotalMolweight | 297.277 |
| Molweight | 297.277 |
| MonoisotopicMass | 297.097423 |
| CLogP | 2.86 |
| CLogS | -4.106 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 230.81 |
| Relative PSA | 0.4865 |
| PolarSurfaceArea | 135.08 |
| Druglikeness | 0.7859 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 4-[5-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]furan-2-yl]benzamide | 2 - 4-[5-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]furan-2-yl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off