(2E)-2-[(4-nitrophenyl)hydrazinylidene]cyclohexan-1-one
Formula:C12H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(4-nitrophenyl)hydrazinylidene]cyclohexan-1-one is a drug-like molecule.
| MolName | (2E)-2-[(4-nitrophenyl)hydrazinylidene]cyclohexan-1-one |
| MolecularFormula | C12H13N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C(\CCCC1)/C1=O)=O |
| InChI | InChI=1S/C12H13N3O3/c16-12-4-2-1-3-11(12)14-13-9-5-7-10(8-6-9)15(17)18/h5-8,13H,1-4H2 |
| InChIK | LTGSLBNCOXOGEC-UHFFFAOYSA-N |
| TotalMolweight | 247.253 |
| Molweight | 247.253 |
| MonoisotopicMass | 247.095692 |
| CLogP | 2.9616 |
| CLogS | -3.123 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 190.65 |
| Relative PSA | 0.34844 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -11.064 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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