2-nitro-4-[(Z)-[[2-(3-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenolate
Formula:C15H11N4O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-4-[(Z)-[[2-(3-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenolate is not a drug-like molecule.
| MolName | 2-nitro-4-[(Z)-[[2-(3-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenolate |
| MolecularFormula | C15H11N4O7 |
| Smiles | [O-]c(ccc(/C=N\NC(COc1cc([N+]([O-])=O)ccc1)=O)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C15H12N4O7/c20-14-5-4-10(6-13(14)19(24)25)8-16-17-15(21)9-26-12-3-1-2-11(7-12)18(22)23/h1-8,20H,9H2,(H,17,21)/p-1 |
| InChIK | MYKLHWBNCSKAFA-UHFFFAOYSA-M |
| TotalMolweight | 359.273 |
| Molweight | 359.273 |
| MonoisotopicMass | 359.062776 |
| CLogP | -0.9904 |
| CLogS | -4.125 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 265.62 |
| Relative PSA | 0.45603 |
| PolarSurfaceArea | 165.39 |
| Druglikeness | -0.93382 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
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