2,4-dinitro-6-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenolate
Formula:C14H10N5O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-6-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenolate is not a drug-like molecule.
| MolName | 2,4-dinitro-6-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenolate |
| MolecularFormula | C14H10N5O6 |
| Smiles | [O-]c(c(/C=N\NC(Nc1ccccc1)=O)cc([N+]([O-])=O)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C14H11N5O6/c20-13-9(6-11(18(22)23)7-12(13)19(24)25)8-15-17-14(21)16-10-4-2-1-3-5-10/h1-8,20H,(H2,16,17,21)/p-1 |
| InChIK | VDTWMPQDRXLFCR-UHFFFAOYSA-M |
| TotalMolweight | 344.262 |
| Molweight | 344.262 |
| MonoisotopicMass | 344.06311 |
| CLogP | -0.5714 |
| CLogS | -4.861 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 253.32 |
| Relative PSA | 0.48393 |
| PolarSurfaceArea | 168.19 |
| Druglikeness | -1.4211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2,4-dinitro-6-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenolate | 2 - 2,4-dinitro-6-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenolate
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