[1-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzoate
Formula:C24H16N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzoate |
| MolecularFormula | C24H16N4O6 |
| Smiles | [O-][N+](c(cc1)ccc1C(Oc1c(/C=N\Nc2cccc([N+]([O-])=O)c2)c2ccccc2cc1)=O)=O |
| InChI | InChI=1S/C24H16N4O6/c29-24(17-8-11-19(12-9-17)27(30)31)34-23-13-10-16-4-1-2-7-21(16)22(23)15-25-26-18-5-3-6-20(14-18)28(32)33/h1-15,26H |
| InChIK | WPNBCTPUQUOXHR-UHFFFAOYSA-N |
| TotalMolweight | 456.413 |
| Molweight | 456.413 |
| MonoisotopicMass | 456.106986 |
| CLogP | 5.6226 |
| CLogS | -7.145 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 338.69 |
| Relative PSA | 0.31548 |
| PolarSurfaceArea | 142.33 |
| Druglikeness | -3.3782 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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