N-[(Z)-(3-chlorophenyl)methylideneamino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
Formula:C16H13N6O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-chlorophenyl)methylideneamino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide |
| MolecularFormula | C16H13N6O2Cl |
| Smiles | O=C(COc(cc1)ccc1-n1nnnc1)N/N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C16H13ClN6O2/c17-13-3-1-2-12(8-13)9-18-20-16(24)10-25-15-6-4-14(5-7-15)23-11-19-21-22-23/h1-9,11H,10H2,(H,20,24) |
| InChIK | KHQODFRWHKAICA-UHFFFAOYSA-N |
| TotalMolweight | 356.772 |
| Molweight | 356.772 |
| MonoisotopicMass | 356.078851 |
| CLogP | 2.2811 |
| CLogS | -4.536 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 271.41 |
| Relative PSA | 0.31609 |
| PolarSurfaceArea | 94.29 |
| Druglikeness | 3.1521 |
| 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 | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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