[4-[(3-hydroxynaphthalene-2-carbonyl)diazenyl]anilino] (E)-3-phenylprop-2-enoate
Formula:C26H19N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-[(3-hydroxynaphthalene-2-carbonyl)diazenyl]anilino] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(3-hydroxynaphthalene-2-carbonyl)diazenyl]anilino] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C26H19N3O4 |
| Smiles | Oc1cc2ccccc2cc1C(/N=N/c(cc1)ccc1NOC(/C=C/c1ccccc1)=O)=O |
| InChI | InChI=1S/C26H19N3O4/c30-24-17-20-9-5-4-8-19(20)16-23(24)26(32)28-27-21-11-13-22(14-12-21)29-33-25(31)15-10-18-6-2-1-3-7-18/h1-17,29-30H |
| InChIK | RWOQPXDPLVQETG-UHFFFAOYSA-N |
| TotalMolweight | 437.454 |
| Molweight | 437.454 |
| MonoisotopicMass | 437.137557 |
| CLogP | 6.7988 |
| CLogS | -6.601 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 340.21 |
| Relative PSA | 0.24591 |
| PolarSurfaceArea | 100.35 |
| Druglikeness | -10.808 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | azo |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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