N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide
Formula:C21H15N2O3Br2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C21H15N2O3Br2Cl |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cc1Br)cc(Br)c1OCc(cccc1)c1Cl)=O |
| InChI | InChI=1S/C21H15Br2ClN2O3/c22-16-9-13(11-25-26-21(28)15-6-2-4-8-19(15)27)10-17(23)20(16)29-12-14-5-1-3-7-18(14)24/h1-11,27H,12H2,(H,26,28) |
| InChIK | BIQSOGNVDSTKES-UHFFFAOYSA-N |
| TotalMolweight | 538.622 |
| Molweight | 538.622 |
| MonoisotopicMass | 535.913792 |
| CLogP | 6.2604 |
| CLogS | -7.17 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 329.54 |
| Relative PSA | 0.17937 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 2.2492 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide
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