2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]ethanol
Formula:C9H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]ethanol is a drug-like molecule.
| MolName | 2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]ethanol |
| MolecularFormula | C9H11N3O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NCCO)cc1)=O |
| InChI | InChI=1S/C9H11N3O3/c13-6-5-10-11-7-8-1-3-9(4-2-8)12(14)15/h1-4,7,10,13H,5-6H2 |
| InChIK | CKDLQFIQFJWKQK-UHFFFAOYSA-N |
| TotalMolweight | 209.204 |
| Molweight | 209.204 |
| MonoisotopicMass | 209.080042 |
| CLogP | 0.2591 |
| CLogS | -2.522 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 167.02 |
| Relative PSA | 0.3981 |
| PolarSurfaceArea | 90.44 |
| Druglikeness | -2.6728 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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