4-nitro-2-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenolate
Formula:C14H9N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-2-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenolate is a drug-like molecule.
| MolName | 4-nitro-2-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenolate |
| MolecularFormula | C14H9N4O6 |
| Smiles | [O-]c(cc1)c(/C=N\NC(c(cc2)ccc2[N+]([O-])=O)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C14H10N4O6/c19-13-6-5-12(18(23)24)7-10(13)8-15-16-14(20)9-1-3-11(4-2-9)17(21)22/h1-8,19H,(H,16,20)/p-1 |
| InChIK | XAWKXFKDEYZNHQ-UHFFFAOYSA-M |
| TotalMolweight | 329.247 |
| Molweight | 329.247 |
| MonoisotopicMass | 329.052211 |
| CLogP | -0.5653 |
| CLogS | -4.345 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 241.86 |
| Relative PSA | 0.45948 |
| PolarSurfaceArea | 156.16 |
| Druglikeness | -0.78017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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