3-hydroxy-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
Formula:C22H20N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C22H20N4O5 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c2cc3ccccc3cc2O)=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C22H20N4O5/c27-21-13-16-4-2-1-3-15(16)12-19(21)22(28)24-23-14-17-11-18(26(29)30)5-6-20(17)25-7-9-31-10-8-25/h1-6,11-14,27H,7-10H2,(H,24,28) |
| InChIK | GXDJRKRPXYBNNJ-UHFFFAOYSA-N |
| TotalMolweight | 420.424 |
| Molweight | 420.424 |
| MonoisotopicMass | 420.143371 |
| CLogP | 2.7977 |
| CLogS | -5.594 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 313.45 |
| Relative PSA | 0.29695 |
| PolarSurfaceArea | 119.98 |
| Druglikeness | 0.0036121 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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