N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2H-tetrazol-5-amine
Formula:C8H13N7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C8H13N7 |
| Smiles | C(CN(CC1)C2)C1/C2=N/Nc1n[nH]nn1 |
| InChI | InChI=1S/C8H13N7/c1-3-15-4-2-6(1)7(5-15)9-10-8-11-13-14-12-8/h6H,1-5H2,(H2,10,11,12,13,14) |
| InChIK | IKCBOJZPHTXFHV-UHFFFAOYSA-N |
| TotalMolweight | 207.24 |
| Molweight | 207.24 |
| MonoisotopicMass | 207.123243 |
| CLogP | 1.6622 |
| CLogS | -1.308 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 158.14 |
| Relative PSA | 0.46427 |
| PolarSurfaceArea | 82.09 |
| Druglikeness | 2.4614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2H-tetrazol-5-amine | 2 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2H-tetrazol-5-amine
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