(2Z)-2-(carbamothioylhydrazinylidene)acetic acid
Formula:C3H5N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(carbamothioylhydrazinylidene)acetic acid is a drug-like molecule.
| MolName | (2Z)-2-(carbamothioylhydrazinylidene)acetic acid |
| MolecularFormula | C3H5N3O2S |
| Smiles | NC(N/N=C\C(O)=O)=S |
| InChI | InChI=1S/C3H5N3O2S/c4-3(9)6-5-1-2(7)8/h1H,(H,7,8)(H3,4,6,9) |
| InChIK | LBPGMKDNBOKEEF-UHFFFAOYSA-N |
| TotalMolweight | 147.158 |
| Molweight | 147.158 |
| MonoisotopicMass | 147.010247 |
| CLogP | -1.499 |
| CLogS | -1.125 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 115.05 |
| Relative PSA | 0.80296 |
| PolarSurfaceArea | 119.8 |
| Druglikeness | 2.0474 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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