(4R)-4-[(Z)-hydroxyiminomethyl]-1,4-dihydropyrazol-5-one
Formula:C4H5N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4R)-4-[(Z)-hydroxyiminomethyl]-1,4-dihydropyrazol-5-one is a drug-like molecule.
| MolName | (4R)-4-[(Z)-hydroxyiminomethyl]-1,4-dihydropyrazol-5-one |
| MolecularFormula | C4H5N3O2 |
| Smiles | O/N=C\[C@@H](C=NN1)C1=O |
| InChI | InChI=1S/C4H5N3O2/c8-4-3(2-6-9)1-5-7-4/h1-3,9H,(H,7,8)/t3-/m1/s1 |
| InChIK | RLXHXUDAFOAABE-GSVOUGTGSA-N |
| TotalMolweight | 127.103 |
| Molweight | 127.103 |
| MonoisotopicMass | 127.038177 |
| CLogP | -0.6585 |
| CLogS | -1.362 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 97.58 |
| Relative PSA | 0.62123 |
| PolarSurfaceArea | 74.05 |
| Druglikeness | 5.0425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 2 |
| StereoCon | this enantiomer |
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1 - (4R)-4-[(Z)-hydroxyiminomethyl]-1,4-dihydropyrazol-5-one | 2 - (4R)-4-[(Z)-hydroxyiminomethyl]-1,4-dihydropyrazol-5-one
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