2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]ethanol
Formula:C9H11N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]ethanol is a drug-like molecule.
| MolName | 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]ethanol |
| MolecularFormula | C9H11N2OBr |
| Smiles | OCCN/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C9H11BrN2O/c10-9-3-1-8(2-4-9)7-12-11-5-6-13/h1-4,7,11,13H,5-6H2 |
| InChIK | UVRBTMVCOKUBCU-UHFFFAOYSA-N |
| TotalMolweight | 243.103 |
| Molweight | 243.103 |
| MonoisotopicMass | 242.005474 |
| CLogP | 1.9059 |
| CLogS | -2.896 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 161.98 |
| Relative PSA | 0.22268 |
| PolarSurfaceArea | 44.62 |
| Druglikeness | 0.8045 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.84615 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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