(2E)-2-(carbamothioylhydrazinylidene)-3-fluoropropanoic acid
Formula:C4H6N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-(carbamothioylhydrazinylidene)-3-fluoropropanoic acid is a drug-like molecule.
| MolName | (2E)-2-(carbamothioylhydrazinylidene)-3-fluoropropanoic acid |
| MolecularFormula | C4H6N3O2FS |
| Smiles | NC(N/N=C(/CF)\C(O)=O)=S |
| InChI | InChI=1S/C4H6FN3O2S/c5-1-2(3(9)10)7-8-4(6)11/h1H2,(H,9,10)(H3,6,8,11) |
| InChIK | GHLVCHKWWVLIMR-UHFFFAOYSA-N |
| TotalMolweight | 179.175 |
| Molweight | 179.175 |
| MonoisotopicMass | 179.016475 |
| CLogP | -1.1842 |
| CLogS | -1.414 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 133.37 |
| Relative PSA | 0.69266 |
| PolarSurfaceArea | 119.8 |
| Druglikeness | 0.50513 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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