N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2H-tetrazol-5-amine
Formula:C12H14N8O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2H-tetrazol-5-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C12H14N8O3 |
| Smiles | [O-][N+](c(cc(/C=N\Nc1n[nH]nn1)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C12H14N8O3/c21-20(22)11-7-9(8-13-14-12-15-17-18-16-12)1-2-10(11)19-3-5-23-6-4-19/h1-2,7-8H,3-6H2,(H2,14,15,16,17,18) |
| InChIK | VRPXTFASIIVIRC-UHFFFAOYSA-N |
| TotalMolweight | 318.296 |
| Molweight | 318.296 |
| MonoisotopicMass | 318.118887 |
| CLogP | 1.5812 |
| CLogS | -3.12 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 240.6 |
| Relative PSA | 0.47315 |
| PolarSurfaceArea | 137.14 |
| Druglikeness | -5.8156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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