N-[(Z)-[2,4-dinitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]methylideneamino]aniline
Formula:C20H16N6O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2,4-dinitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[2,4-dinitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]methylideneamino]aniline |
| MolecularFormula | C20H16N6O4 |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(C=NNc2ccccc2)cc1/C=N\Nc1ccccc1)=O |
| InChI | InChI=1S/C20H16N6O4/c27-25(28)19-12-20(26(29)30)16(14-22-24-18-9-5-2-6-10-18)11-15(19)13-21-23-17-7-3-1-4-8-17/h1-14,23-24H |
| InChIK | NOVQSYNGBUBTNR-UHFFFAOYSA-N |
| TotalMolweight | 404.385 |
| Molweight | 404.385 |
| MonoisotopicMass | 404.123304 |
| CLogP | 6.179 |
| CLogS | -5.602 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 312.56 |
| Relative PSA | 0.34163 |
| PolarSurfaceArea | 140.42 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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