5-bromo-N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide
Formula:C14H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C14H15N2O2Br |
| Smiles | Oc(ccc(Br)c1)c1C(N/N=C\C1CC=CCC1)=O |
| InChI | InChI=1S/C14H15BrN2O2/c15-11-6-7-13(18)12(8-11)14(19)17-16-9-10-4-2-1-3-5-10/h1-2,6-10,18H,3-5H2,(H,17,19)/t10-/m1/s1 |
| InChIK | HVDMYXJBUPVNFP-SNVBAGLBSA-N |
| TotalMolweight | 323.189 |
| Molweight | 323.189 |
| MonoisotopicMass | 322.031689 |
| CLogP | 2.8951 |
| CLogS | -4.109 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 218.99 |
| Relative PSA | 0.22426 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -2.4287 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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