N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C14H11N7O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C14H11N7O3S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(Cn2nnc(-c3ccccc3)n2)=O)s1)=O |
| InChI | InChI=1S/C14H11N7O3S/c22-12(16-15-8-11-6-7-13(25-11)21(23)24)9-20-18-14(17-19-20)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,22) |
| InChIK | IDYFKLPVUZOKQQ-UHFFFAOYSA-N |
| TotalMolweight | 357.353 |
| Molweight | 357.353 |
| MonoisotopicMass | 357.064408 |
| CLogP | 1.6475 |
| CLogS | -4.409 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 265.6 |
| Relative PSA | 0.47654 |
| PolarSurfaceArea | 159.12 |
| Druglikeness | -2.9775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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