N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C16H12N6OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C16H12N6OCl2 |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C16H12Cl2N6O/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 | MNBHRUROFTWUQR-UHFFFAOYSA-N |
| TotalMolweight | 375.218 |
| Molweight | 375.218 |
| MonoisotopicMass | 374.044963 |
| CLogP | 3.7249 |
| CLogS | -5.261 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 276.83 |
| Relative PSA | 0.27378 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | 1.052 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| 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 | 5 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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