[1-[(Z)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] pyridine-3-carboxylate
Formula:C18H14N4O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] pyridine-3-carboxylate is a drug-like molecule.
| MolName | [1-[(Z)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] pyridine-3-carboxylate |
| MolecularFormula | C18H14N4O2S |
| Smiles | NC(N/N=C\c(c1ccccc1cc1)c1OC(c1cnccc1)=O)=S |
| InChI | InChI=1S/C18H14N4O2S/c19-18(25)22-21-11-15-14-6-2-1-4-12(14)7-8-16(15)24-17(23)13-5-3-9-20-10-13/h1-11H,(H3,19,22,25) |
| InChIK | BJYUYKSYVFKZGH-UHFFFAOYSA-N |
| TotalMolweight | 350.401 |
| Molweight | 350.401 |
| MonoisotopicMass | 350.083746 |
| CLogP | 3.156 |
| CLogS | -5.179 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 271.58 |
| Relative PSA | 0.36914 |
| PolarSurfaceArea | 121.69 |
| Druglikeness | 1.9903 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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