[4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-nitrophenyl] benzoate
Formula:C25H17N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-nitrophenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-nitrophenyl] benzoate |
| MolecularFormula | C25H17N3O6 |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cc2ccccc2cc1O)=O)cc1)c1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C25H17N3O6/c29-22-14-19-9-5-4-8-18(19)13-20(22)24(30)27-26-15-16-10-11-23(21(12-16)28(32)33)34-25(31)17-6-2-1-3-7-17/h1-15,29H,(H,27,30) |
| InChIK | FANYNHJOXGHRFU-UHFFFAOYSA-N |
| TotalMolweight | 455.425 |
| Molweight | 455.425 |
| MonoisotopicMass | 455.111737 |
| CLogP | 4.5592 |
| CLogS | -6.961 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 339.12 |
| Relative PSA | 0.30246 |
| PolarSurfaceArea | 133.81 |
| Druglikeness | -1.0774 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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