4-[5-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]furan-2-yl]benzamide
Formula:C13H11N7O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-[5-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]furan-2-yl]benzamide is a drug-like molecule.
| MolName | 4-[5-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]furan-2-yl]benzamide |
| MolecularFormula | C13H11N7O2 |
| Smiles | NC(c(cc1)ccc1-c1ccc(/C=N\n2nnnc2N)o1)=O |
| InChI | InChI=1S/C13H11N7O2/c14-12(21)9-3-1-8(2-4-9)11-6-5-10(22-11)7-16-20-13(15)17-18-19-20/h1-7H,(H2,14,21)(H2,15,17,19) |
| InChIK | YUBZBVMDEUPWOU-UHFFFAOYSA-N |
| TotalMolweight | 297.277 |
| Molweight | 297.277 |
| MonoisotopicMass | 297.097423 |
| CLogP | 1.2527 |
| CLogS | -5.336 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 227.5 |
| Relative PSA | 0.47903 |
| PolarSurfaceArea | 138.21 |
| Druglikeness | 4.1635 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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