3-fluoro-4-[[(Z)-1-hydrazinyl-2-nitroethenyl]amino]phenol
Formula:C8H9N4O3F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-fluoro-4-[[(Z)-1-hydrazinyl-2-nitroethenyl]amino]phenol is a drug-like molecule.
| MolName | 3-fluoro-4-[[(Z)-1-hydrazinyl-2-nitroethenyl]amino]phenol |
| MolecularFormula | C8H9N4O3F |
| Smiles | NN/C(/Nc(ccc(O)c1)c1F)=C\[N+]([O-])=O |
| InChI | InChI=1S/C8H9FN4O3/c9-6-3-5(14)1-2-7(6)11-8(12-10)4-13(15)16/h1-4,11-12,14H,10H2 |
| InChIK | SDPDRWXRLCJWPH-UHFFFAOYSA-N |
| TotalMolweight | 228.182 |
| Molweight | 228.182 |
| MonoisotopicMass | 228.065869 |
| CLogP | -1.463 |
| CLogS | -3.934 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 165.78 |
| Relative PSA | 0.49288 |
| PolarSurfaceArea | 116.13 |
| Druglikeness | -10.011 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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