| MolName | 2-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carbohydrazide |
| MolecularFormula | C14H15N5OS |
| Smiles | NNC(c1csc(N/N=C(/CCC2)\c3c2cccc3)n1)=O |
| InChI | InChI=1S/C14H15N5OS/c15-17-13(20)12-8-21-14(16-12)19-18-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8H,3,5,7,15H2,(H,16,19)(H,17,20) |
| InChIK | MQJYBRJLOFKYBO-UHFFFAOYSA-N |
| TotalMolweight | 301.373 |
| Molweight | 301.373 |
| MonoisotopicMass | 301.09973 |
| CLogP | 3.5161 |
| CLogS | -4.221 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 227.66 |
| Relative PSA | 0.4132 |
| PolarSurfaceArea | 120.64 |
| Druglikeness | -4.3564 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carbohydrazide | 2 - 2-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carbohydrazide