N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Formula:C16H14N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide |
| MolecularFormula | C16H14N6O2S |
| Smiles | Oc1cccc(/C=N\NC(CSc2nnnn2-c2ccccc2)=O)c1 |
| InChI | InChI=1S/C16H14N6O2S/c23-14-8-4-5-12(9-14)10-17-18-15(24)11-25-16-19-20-21-22(16)13-6-2-1-3-7-13/h1-10,23H,11H2,(H,18,24) |
| InChIK | JWOAUAMJIBVWTF-UHFFFAOYSA-N |
| TotalMolweight | 354.393 |
| Molweight | 354.393 |
| MonoisotopicMass | 354.089894 |
| CLogP | 2.2094 |
| CLogS | -4.035 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 269.83 |
| Relative PSA | 0.39425 |
| PolarSurfaceArea | 130.59 |
| Druglikeness | 3.7153 |
| 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 | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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