N-[(Z)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide
Formula:C21H16N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C21H16N2O3Cl2 |
| Smiles | Oc(cccc1)c1C(N/N=C\c1cccc(OCc(c(Cl)ccc2)c2Cl)c1)=O |
| InChI | InChI=1S/C21H16Cl2N2O3/c22-18-8-4-9-19(23)17(18)13-28-15-6-3-5-14(11-15)12-24-25-21(27)16-7-1-2-10-20(16)26/h1-12,26H,13H2,(H,25,27) |
| InChIK | NIRNQFWPVJAFNW-UHFFFAOYSA-N |
| TotalMolweight | 415.275 |
| Molweight | 415.275 |
| MonoisotopicMass | 414.053797 |
| CLogP | 5.416 |
| CLogS | -6.238 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 307.7 |
| Relative PSA | 0.1921 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 4.0392 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide
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