N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C16H12N6OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C16H12N6OF2 |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c(cc1)cc(F)c1F |
| InChI | InChI=1S/C16H12F2N6O/c17-13-7-6-11(8-14(13)18)9-19-20-15(25)10-24-22-16(21-23-24)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,25) |
| InChIK | HQRGIPUXZFYMSP-UHFFFAOYSA-N |
| TotalMolweight | 342.308 |
| Molweight | 342.308 |
| MonoisotopicMass | 342.104065 |
| CLogP | 2.7145 |
| CLogS | -4.417 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 258.69 |
| Relative PSA | 0.29298 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | -0.30154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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