2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]acetonitrile
Formula:C10H9N7O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]acetonitrile is a drug-like molecule.
| MolName | 2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]acetonitrile |
| MolecularFormula | C10H9N7O |
| Smiles | Nc1nnnn1/N=C\c(cccc1)c1OCC#N |
| InChI | InChI=1S/C10H9N7O/c11-5-6-18-9-4-2-1-3-8(9)7-13-17-10(12)14-15-16-17/h1-4,7H,6H2,(H2,12,14,16) |
| InChIK | DTGXIPNIRMYFFH-UHFFFAOYSA-N |
| TotalMolweight | 243.229 |
| Molweight | 243.229 |
| MonoisotopicMass | 243.086858 |
| CLogP | 0.8084 |
| CLogS | -4.253 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 197.25 |
| Relative PSA | 0.45688 |
| PolarSurfaceArea | 115 |
| Druglikeness | -3.4781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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