N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C16H11N7O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C16H11N7O3Cl2 |
| Smiles | [O-][N+](c(cc(/C=N\NC(Cn1nnc(-c2ccccc2)n1)=O)c(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C16H11Cl2N7O3/c17-12-7-13(18)14(25(27)28)6-11(12)8-19-20-15(26)9-24-22-16(21-23-24)10-4-2-1-3-5-10/h1-8H,9H2,(H,20,26) |
| InChIK | CMDAWLVABFBMMO-UHFFFAOYSA-N |
| TotalMolweight | 420.215 |
| Molweight | 420.215 |
| MonoisotopicMass | 419.030042 |
| CLogP | 2.8033 |
| CLogS | -5.721 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 300.5 |
| Relative PSA | 0.35344 |
| PolarSurfaceArea | 130.88 |
| Druglikeness | -4.0863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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