N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
Formula:C26H19N3O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C26H19N3O3ClF |
| Smiles | O=C(COc(ccc(/C=N\NC(c1cc2ccccc2cc1)=O)c1)c1Cl)Nc(cccc1)c1F |
| InChI | InChI=1S/C26H19ClFN3O3/c27-21-13-17(9-12-24(21)34-16-25(32)30-23-8-4-3-7-22(23)28)15-29-31-26(33)20-11-10-18-5-1-2-6-19(18)14-20/h1-15H,16H2,(H,30,32)(H,31,33) |
| InChIK | DJXBFFXGGSSKDZ-UHFFFAOYSA-N |
| TotalMolweight | 475.906 |
| Molweight | 475.906 |
| MonoisotopicMass | 475.109897 |
| CLogP | 5.8252 |
| CLogS | -7.669 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 356.09 |
| Relative PSA | 0.19801 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.3607 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide | 2 - N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
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