2-(5-aminotetrazol-1-yl)-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C14H12N7O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(5-aminotetrazol-1-yl)-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C14H12N7O2F |
| Smiles | Nc1nnnn1CC(N/N=C\c1ccc(-c(cc2)ccc2F)o1)=O |
| InChI | InChI=1S/C14H12FN7O2/c15-10-3-1-9(2-4-10)12-6-5-11(24-12)7-17-18-13(23)8-22-14(16)19-20-21-22/h1-7H,8H2,(H,18,23)(H2,16,19,21) |
| InChIK | SVJWBDYOQIMJGO-UHFFFAOYSA-N |
| TotalMolweight | 329.294 |
| Molweight | 329.294 |
| MonoisotopicMass | 329.103651 |
| CLogP | 1.2202 |
| CLogS | -4.64 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 250.55 |
| Relative PSA | 0.41976 |
| PolarSurfaceArea | 124.22 |
| Druglikeness | 4.6642 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| 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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