4-nitro-2-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenolate
Formula:C14H11N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-2-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenolate is a drug-like molecule.
| MolName | 4-nitro-2-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenolate |
| MolecularFormula | C14H11N4O4 |
| Smiles | [O-]c(cc1)c(/C=N\NC(Nc2ccccc2)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C14H12N4O4/c19-13-7-6-12(18(21)22)8-10(13)9-15-17-14(20)16-11-4-2-1-3-5-11/h1-9,19H,(H2,16,17,20)/p-1 |
| InChIK | QVGGWSNMOYBZBJ-UHFFFAOYSA-M |
| TotalMolweight | 299.265 |
| Molweight | 299.265 |
| MonoisotopicMass | 299.078031 |
| CLogP | 0.3502 |
| CLogS | -4.401 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 229.65 |
| Relative PSA | 0.40135 |
| PolarSurfaceArea | 122.37 |
| Druglikeness | -1.4211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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