4-nitro-2-[[(E)-2-nitroethenyl]amino]phenol
Formula:C8H7N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-2-[[(E)-2-nitroethenyl]amino]phenol is a drug-like molecule.
| MolName | 4-nitro-2-[[(E)-2-nitroethenyl]amino]phenol |
| MolecularFormula | C8H7N3O5 |
| Smiles | [O-][N+](/C=C/Nc(cc(cc1)[N+]([O-])=O)c1O)=O |
| InChI | InChI=1S/C8H7N3O5/c12-8-2-1-6(11(15)16)5-7(8)9-3-4-10(13)14/h1-5,9,12H |
| InChIK | ULCBXFMUMXRWSE-UHFFFAOYSA-N |
| TotalMolweight | 225.16 |
| Molweight | 225.16 |
| MonoisotopicMass | 225.038572 |
| CLogP | -1.3268 |
| CLogS | -2.736 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 164.91 |
| Relative PSA | 0.51786 |
| PolarSurfaceArea | 123.9 |
| Druglikeness | -6.1275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| 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 | 2 |
| StereoCon |
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