(2Z)-2-[(6-sulfanylidene-1H-pyridazin-3-yl)hydrazinylidene]acetic acid
Formula:C6H6N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(6-sulfanylidene-1H-pyridazin-3-yl)hydrazinylidene]acetic acid is a drug-like molecule.
| MolName | (2Z)-2-[(6-sulfanylidene-1H-pyridazin-3-yl)hydrazinylidene]acetic acid |
| MolecularFormula | C6H6N4O2S |
| Smiles | OC(/C=N\NC(C=C1)=NNC1=S)=O |
| InChI | InChI=1S/C6H6N4O2S/c11-6(12)3-7-8-4-1-2-5(13)10-9-4/h1-3H,(H,8,9)(H,10,13)(H,11,12) |
| InChIK | WSUYLVCIWRDYGX-UHFFFAOYSA-N |
| TotalMolweight | 198.206 |
| Molweight | 198.206 |
| MonoisotopicMass | 198.021146 |
| CLogP | -1.8741 |
| CLogS | -2.184 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 153.96 |
| Relative PSA | 0.65004 |
| PolarSurfaceArea | 118.17 |
| Druglikeness | 2.4099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2Z)-2-[(6-sulfanylidene-1H-pyridazin-3-yl)hydrazinylidene]acetic acid | 2 - (2Z)-2-[(6-sulfanylidene-1H-pyridazin-3-yl)hydrazinylidene]acetic acid
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