[6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-phenoxyacetate
Formula:C15H14N4O3S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-phenoxyacetate is a drug-like molecule.
| MolName | [6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-phenoxyacetate |
| MolecularFormula | C15H14N4O3S |
| Smiles | NC(N/N=C\c(cc1)ncc1OC(COc1ccccc1)=O)=S |
| InChI | InChI=1S/C15H14N4O3S/c16-15(23)19-18-8-11-6-7-13(9-17-11)22-14(20)10-21-12-4-2-1-3-5-12/h1-9H,10H2,(H3,16,19,23) |
| InChIK | ZFVVIAZMYUDWHW-UHFFFAOYSA-N |
| TotalMolweight | 330.367 |
| Molweight | 330.367 |
| MonoisotopicMass | 330.078661 |
| CLogP | 1.5905 |
| CLogS | -3.377 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 260.74 |
| Relative PSA | 0.42283 |
| PolarSurfaceArea | 130.92 |
| Druglikeness | 2.0348 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-phenoxyacetate | 2 - [6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-phenoxyacetate
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