N-[(Z)-(4-bromophenyl)methylideneamino]-4-chloro-2-hydroxybenzamide
Formula:C14H10N2O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-4-chloro-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-4-chloro-2-hydroxybenzamide |
| MolecularFormula | C14H10N2O2BrCl |
| Smiles | Oc(cc(cc1)Cl)c1C(N/N=C\c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C14H10BrClN2O2/c15-10-3-1-9(2-4-10)8-17-18-14(20)12-6-5-11(16)7-13(12)19/h1-8,19H,(H,18,20) |
| InChIK | BPDAZXKGJSMFCH-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 | 0.7 |
| 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 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-4-chloro-2-hydroxybenzamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-4-chloro-2-hydroxybenzamide
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