[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Formula:C21H21N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C21H21N2O3Br |
| Smiles | O=C(C1CCCCC1)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O |
| InChI | InChI=1S/C21H21BrN2O3/c22-19-9-5-4-8-18(19)21(26)27-17-12-10-15(11-13-17)14-23-24-20(25)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,24,25) |
| InChIK | UTYUHCWXTMIWKQ-UHFFFAOYSA-N |
| TotalMolweight | 429.313 |
| Molweight | 429.313 |
| MonoisotopicMass | 428.073554 |
| CLogP | 5.2576 |
| CLogS | -6.181 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.17 |
| Relative PSA | 0.19607 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | -1.9356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
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