4-bromo-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide
Formula:C13H13N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide |
| MolecularFormula | C13H13N2O2Br |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C(/CCC1)\CC1=O |
| InChI | InChI=1S/C13H13BrN2O2/c14-10-6-4-9(5-7-10)13(18)16-15-11-2-1-3-12(17)8-11/h4-7H,1-3,8H2,(H,16,18) |
| InChIK | YVMUMAIAKSOLSV-UHFFFAOYSA-N |
| TotalMolweight | 309.162 |
| Molweight | 309.162 |
| MonoisotopicMass | 308.016039 |
| CLogP | 2.9691 |
| CLogS | -4.069 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 203.36 |
| Relative PSA | 0.2412 |
| PolarSurfaceArea | 58.53 |
| Druglikeness | -2.8306 |
| 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 | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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