N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-2H-tetrazol-5-amine
Formula:C9H7N6F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C9H7N6F3 |
| Smiles | FC(c1c(/C=N\Nc2n[nH]nn2)cccc1)(F)F |
| InChI | InChI=1S/C9H7F3N6/c10-9(11,12)7-4-2-1-3-6(7)5-13-14-8-15-17-18-16-8/h1-5H,(H2,14,15,16,17,18) |
| InChIK | VBDZCHVUTUPIRB-UHFFFAOYSA-N |
| TotalMolweight | 256.191 |
| Molweight | 256.191 |
| MonoisotopicMass | 256.068428 |
| CLogP | 3.6821 |
| CLogS | -3.335 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 184.55 |
| Relative PSA | 0.3786 |
| PolarSurfaceArea | 78.85 |
| Druglikeness | -8.6044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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