N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2H-tetrazol-5-amine
Formula:C6H5N7O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C6H5N7O2S |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2n[nH]nn2)s1)=O |
| InChI | InChI=1S/C6H5N7O2S/c14-13(15)5-2-1-4(16-5)3-7-8-6-9-11-12-10-6/h1-3H,(H2,8,9,10,11,12) |
| InChIK | WRGCFBVPJYKTNH-UHFFFAOYSA-N |
| TotalMolweight | 239.219 |
| Molweight | 239.219 |
| MonoisotopicMass | 239.022543 |
| CLogP | 1.9684 |
| CLogS | -3.177 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 174.7 |
| Relative PSA | 0.69061 |
| PolarSurfaceArea | 152.91 |
| Druglikeness | -5.5029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2H-tetrazol-5-amine | 2 - N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2H-tetrazol-5-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off