N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-2-chlorobenzamide
Formula:C14H10N2O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-2-chlorobenzamide is a drug-like molecule.
| MolName | N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-2-chlorobenzamide |
| MolecularFormula | C14H10N2O2BrCl |
| Smiles | Oc(cc1)cc(/C=N/NC(c(cccc2)c2Cl)=O)c1Br |
| InChI | InChI=1S/C14H10BrClN2O2/c15-12-6-5-10(19)7-9(12)8-17-18-14(20)11-3-1-2-4-13(11)16/h1-8,19H,(H,18,20) |
| InChIK | NOSYWJSTEFHSBR-UHFFFAOYSA-N |
| TotalMolweight | 353.602 |
| Molweight | 353.602 |
| MonoisotopicMass | 351.961416 |
| CLogP | 4.1871 |
| CLogS | -4.995 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.39 |
| Relative PSA | 0.21597 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.6398 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-2-chlorobenzamide | 2 - N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-2-chlorobenzamide
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