N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Formula:C16H13N7O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide |
| MolecularFormula | C16H13N7O3S |
| Smiles | [O-][N+](c1c(/C=N\NC(CSc2nnnn2-c2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C16H13N7O3S/c24-15(18-17-10-12-6-4-5-9-14(12)23(25)26)11-27-16-19-20-21-22(16)13-7-2-1-3-8-13/h1-10H,11H2,(H,18,24) |
| InChIK | KGULYHQMAJECCU-UHFFFAOYSA-N |
| TotalMolweight | 383.391 |
| Molweight | 383.391 |
| MonoisotopicMass | 383.080058 |
| CLogP | 1.6335 |
| CLogS | -4.791 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 287.15 |
| Relative PSA | 0.43079 |
| PolarSurfaceArea | 156.18 |
| Druglikeness | -1.3919 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide | 2 - N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off