N-[(E)-[3-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]methylideneamino]aniline
Formula:C20H17N5O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[3-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(E)-[3-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]methylideneamino]aniline |
| MolecularFormula | C20H17N5O2 |
| Smiles | [O-][N+](c1c(/C=N\Nc2ccccc2)ccc(/C=N/Nc2ccccc2)c1)=O |
| InChI | InChI=1S/C20H17N5O2/c26-25(27)20-13-16(14-21-23-18-7-3-1-4-8-18)11-12-17(20)15-22-24-19-9-5-2-6-10-19/h1-15,23-24H |
| InChIK | UTIDRDPVRYJJNO-UHFFFAOYSA-N |
| TotalMolweight | 359.388 |
| Molweight | 359.388 |
| MonoisotopicMass | 359.138225 |
| CLogP | 7.1006 |
| CLogS | -5.142 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 288.89 |
| Relative PSA | 0.26432 |
| PolarSurfaceArea | 94.6 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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