4-hydroxy-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide
Formula:C13H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide |
| MolecularFormula | C13H14N2O3 |
| Smiles | Oc(cc1)ccc1C(N/N=C(/CCC1)\CC1=O)=O |
| InChI | InChI=1S/C13H14N2O3/c16-11-6-4-9(5-7-11)13(18)15-14-10-2-1-3-12(17)8-10/h4-7,16H,1-3,8H2,(H,15,18) |
| InChIK | LCQITYAKLKKGEV-UHFFFAOYSA-N |
| TotalMolweight | 246.265 |
| Molweight | 246.265 |
| MonoisotopicMass | 246.100443 |
| CLogP | 1.8982 |
| CLogS | -2.939 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 191.08 |
| Relative PSA | 0.32526 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | -1.0355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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