N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C20H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C20H17N3O4 |
| Smiles | NC(COc1ccc(/C=N\NC(c2cc3ccccc3cc2O)=O)cc1)=O |
| InChI | InChI=1S/C20H17N3O4/c21-19(25)12-27-16-7-5-13(6-8-16)11-22-23-20(26)17-9-14-3-1-2-4-15(14)10-18(17)24/h1-11,24H,12H2,(H2,21,25)(H,23,26) |
| InChIK | KITZMUNGYBIBMS-UHFFFAOYSA-N |
| TotalMolweight | 363.372 |
| Molweight | 363.372 |
| MonoisotopicMass | 363.121907 |
| CLogP | 2.7125 |
| CLogS | -4.9 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 277.97 |
| Relative PSA | 0.31449 |
| PolarSurfaceArea | 114.01 |
| Druglikeness | 4.5311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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