4-nitro-2-[[(E)-2-nitroethenyl]amino]phenolate
Formula:C8H6N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-2-[[(E)-2-nitroethenyl]amino]phenolate is a drug-like molecule.
| MolName | 4-nitro-2-[[(E)-2-nitroethenyl]amino]phenolate |
| MolecularFormula | C8H6N3O5 |
| Smiles | [O-]c(ccc([N+]([O-])=O)c1)c1N/C=C/[N+]([O-])=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/p-1 |
| InChIK | ULCBXFMUMXRWSE-UHFFFAOYSA-M |
| TotalMolweight | 224.152 |
| Molweight | 224.152 |
| MonoisotopicMass | 224.030747 |
| CLogP | -2.9048 |
| CLogS | -2.736 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 166.09 |
| Relative PSA | 0.52128 |
| PolarSurfaceArea | 126.73 |
| 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 |
Click to Load Molecule:
1 - 4-nitro-2-[[(E)-2-nitroethenyl]amino]phenolate | 2 - 4-nitro-2-[[(E)-2-nitroethenyl]amino]phenolate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off