3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]-4-nitrophenolate
Formula:C19H14N3O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]-4-nitrophenolate |
| MolecularFormula | C19H14N3O4 |
| Smiles | [O-]c(cc1)cc(/C=N\NC(Cc2cccc3ccccc23)=O)c1[N+]([O-])=O |
| InChI | InChI=1S/C19H15N3O4/c23-16-8-9-18(22(25)26)15(10-16)12-20-21-19(24)11-14-6-3-5-13-4-1-2-7-17(13)14/h1-10,12,23H,11H2,(H,21,24)/p-1 |
| InChIK | BYPVZKVGDFCZJN-UHFFFAOYSA-M |
| TotalMolweight | 348.337 |
| Molweight | 348.337 |
| MonoisotopicMass | 348.098432 |
| CLogP | 1.5488 |
| CLogS | -5.456 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 266.55 |
| Relative PSA | 0.30279 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | -0.80585 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]-4-nitrophenolate | 2 - 3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]-4-nitrophenolate
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