(E)-4-oxo-4-[2-(thiophene-2-carbonyl)hydrazinyl]but-2-enoic acid
Formula:C9H8N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-4-[2-(thiophene-2-carbonyl)hydrazinyl]but-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-oxo-4-[2-(thiophene-2-carbonyl)hydrazinyl]but-2-enoic acid |
| MolecularFormula | C9H8N2O4S |
| Smiles | OC(/C=C/C(NNC(c1cccs1)=O)=O)=O |
| InChI | InChI=1S/C9H8N2O4S/c12-7(3-4-8(13)14)10-11-9(15)6-2-1-5-16-6/h1-5H,(H,10,12)(H,11,15)(H,13,14) |
| InChIK | FGDOZIZMDAWDMZ-UHFFFAOYSA-N |
| TotalMolweight | 240.239 |
| Molweight | 240.239 |
| MonoisotopicMass | 240.020478 |
| CLogP | -0.5793 |
| CLogS | -1.937 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 178.22 |
| Relative PSA | 0.53585 |
| PolarSurfaceArea | 123.74 |
| Druglikeness | 3.9503 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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