(2E)-2-(carbamoylhydrazinylidene)-2-(2-nitrophenyl)acetic acid
Formula:C9H8N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-(carbamoylhydrazinylidene)-2-(2-nitrophenyl)acetic acid is a drug-like molecule.
| MolName | (2E)-2-(carbamoylhydrazinylidene)-2-(2-nitrophenyl)acetic acid |
| MolecularFormula | C9H8N4O5 |
| Smiles | NC(N/N=C(/C(O)=O)\c(cccc1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C9H8N4O5/c10-9(16)12-11-7(8(14)15)5-3-1-2-4-6(5)13(17)18/h1-4H,(H,14,15)(H3,10,12,16) |
| InChIK | AXJJYBGJTGCBSZ-UHFFFAOYSA-N |
| TotalMolweight | 252.186 |
| Molweight | 252.186 |
| MonoisotopicMass | 252.049471 |
| CLogP | -1.1247 |
| CLogS | -3.109 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 181.73 |
| Relative PSA | 0.59341 |
| PolarSurfaceArea | 150.6 |
| Druglikeness | -1.5653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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