N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C16H12N6OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C16H12N6OClF |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C16H12ClFN6O/c17-13-7-4-8-14(18)12(13)9-19-20-15(25)10-24-22-16(21-23-24)11-5-2-1-3-6-11/h1-9H,10H2,(H,20,25) |
| InChIK | DTJRVKAQHZWUBB-UHFFFAOYSA-N |
| TotalMolweight | 358.763 |
| Molweight | 358.763 |
| MonoisotopicMass | 358.074514 |
| CLogP | 3.2197 |
| CLogS | -4.839 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 267.76 |
| Relative PSA | 0.28305 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | -0.288 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| 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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