3-hydroxy-N-[(Z)-[2-(2-nitrophenoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
Formula:C24H17N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-[2-(2-nitrophenoxy)phenyl]methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-[2-(2-nitrophenoxy)phenyl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C24H17N3O5 |
| Smiles | [O-][N+](c(cccc1)c1Oc1c(/C=N\NC(c2cc3ccccc3cc2O)=O)cccc1)=O |
| InChI | InChI=1S/C24H17N3O5/c28-21-14-17-8-2-1-7-16(17)13-19(21)24(29)26-25-15-18-9-3-5-11-22(18)32-23-12-6-4-10-20(23)27(30)31/h1-15,28H,(H,26,29) |
| InChIK | MCASAKDXKHOWRH-UHFFFAOYSA-N |
| TotalMolweight | 427.415 |
| Molweight | 427.415 |
| MonoisotopicMass | 427.116822 |
| CLogP | 4.5243 |
| CLogS | -7.788 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 321.37 |
| Relative PSA | 0.27859 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | -0.87447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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