5-(2-hydroxyphenyl)-4-nitro-1,2-dihydropyrazol-3-one
Formula:C9H7N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(2-hydroxyphenyl)-4-nitro-1,2-dihydropyrazol-3-one is a drug-like molecule.
| MolName | 5-(2-hydroxyphenyl)-4-nitro-1,2-dihydropyrazol-3-one |
| MolecularFormula | C9H7N3O4 |
| Smiles | [O-][N+](C1=C(c(cccc2)c2O)NNC1=O)=O |
| InChI | InChI=1S/C9H7N3O4/c13-6-4-2-1-3-5(6)7-8(12(15)16)9(14)11-10-7/h1-4,13H,(H2,10,11,14) |
| InChIK | AABMRTPQDDNTHJ-UHFFFAOYSA-N |
| TotalMolweight | 221.172 |
| Molweight | 221.172 |
| MonoisotopicMass | 221.043657 |
| CLogP | -1.5598 |
| CLogS | -2.176 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 153.37 |
| Relative PSA | 0.51822 |
| PolarSurfaceArea | 107.18 |
| Druglikeness | -2.9023 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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