N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2H-tetrazol-5-amine
Formula:C13H9N6OF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C13H9N6OF3 |
| Smiles | FC(c1cc(-c2ccc(/C=N\Nc3n[nH]nn3)o2)ccc1)(F)F |
| InChI | InChI=1S/C13H9F3N6O/c14-13(15,16)9-3-1-2-8(6-9)11-5-4-10(23-11)7-17-18-12-19-21-22-20-12/h1-7H,(H2,18,19,20,21,22) |
| InChIK | HVNIQFZMNFPWEF-UHFFFAOYSA-N |
| TotalMolweight | 322.249 |
| Molweight | 322.249 |
| MonoisotopicMass | 322.078993 |
| CLogP | 4.621 |
| CLogS | -4.795 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 234 |
| Relative PSA | 0.35889 |
| PolarSurfaceArea | 91.99 |
| Druglikeness | -6.7525 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2H-tetrazol-5-amine | 2 - N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2H-tetrazol-5-amine
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