N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Formula:C16H13N6OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide |
| MolecularFormula | C16H13N6OClS |
| Smiles | O=C(CSc1nnnn1-c1ccccc1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H13ClN6OS/c17-13-8-6-12(7-9-13)10-18-19-15(24)11-25-16-20-21-22-23(16)14-4-2-1-3-5-14/h1-10H,11H2,(H,19,24) |
| InChIK | IEDRDWGWRAOBHA-UHFFFAOYSA-N |
| TotalMolweight | 372.839 |
| Molweight | 372.839 |
| MonoisotopicMass | 372.056006 |
| CLogP | 3.1611 |
| CLogS | -5.067 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 278.9 |
| Relative PSA | 0.33446 |
| PolarSurfaceArea | 110.36 |
| Druglikeness | 3.7584 |
| 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 | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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