4-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]cyclohexa-2,5-dien-1-one
Formula:C13H9N3O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
4-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]cyclohexa-2,5-dien-1-one is a drug-like molecule.
| MolName | 4-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]cyclohexa-2,5-dien-1-one |
| MolecularFormula | C13H9N3O3 |
| Smiles | [O-][N+](c1ccc(/C=N\N=C(C=C2)C=CC2=O)cc1)=O |
| InChI | InChI=1S/C13H9N3O3/c17-13-7-3-11(4-8-13)15-14-9-10-1-5-12(6-2-10)16(18)19/h1-9H |
| InChIK | LRAWBSVTPYNXHY-UHFFFAOYSA-N |
| TotalMolweight | 255.232 |
| Molweight | 255.232 |
| MonoisotopicMass | 255.064392 |
| CLogP | 2.3555 |
| CLogS | -3.65 |
| H Acceptors | 6 |
| TotalSurfaceArea | 201.91 |
| Relative PSA | 0.32926 |
| PolarSurfaceArea | 87.61 |
| Druglikeness | -5.9788 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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