N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2H-tetrazol-5-amine
Formula:C12H15N7O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C12H15N7O |
| Smiles | C(COCC1)N1c1ccc(/C=N\Nc2n[nH]nn2)cc1 |
| InChI | InChI=1S/C12H15N7O/c1-3-11(19-5-7-20-8-6-19)4-2-10(1)9-13-14-12-15-17-18-16-12/h1-4,9H,5-8H2,(H2,14,15,16,17,18) |
| InChIK | GOGNLAVBTYAGTM-UHFFFAOYSA-N |
| TotalMolweight | 273.299 |
| Molweight | 273.299 |
| MonoisotopicMass | 273.133808 |
| CLogP | 2.5028 |
| CLogS | -2.66 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 216.93 |
| Relative PSA | 0.38455 |
| PolarSurfaceArea | 91.32 |
| Druglikeness | -0.66792 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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