(2E)-2-[(2-hydroxyphenyl)methylidene]naphthalene-1,4-dione
Formula:C17H12O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(2-hydroxyphenyl)methylidene]naphthalene-1,4-dione is a drug-like molecule.
| MolName | (2E)-2-[(2-hydroxyphenyl)methylidene]naphthalene-1,4-dione |
| MolecularFormula | C17H12O3 |
| Smiles | Oc1c(/C=C(\CC(c2c3cccc2)=O)/C3=O)cccc1 |
| InChI | InChI=1S/C17H12O3/c18-15-8-4-1-5-11(15)9-12-10-16(19)13-6-2-3-7-14(13)17(12)20/h1-9,18H,10H2 |
| InChIK | OYYQJPZNJXJPFX-UHFFFAOYSA-N |
| TotalMolweight | 264.279 |
| Molweight | 264.279 |
| MonoisotopicMass | 264.078645 |
| CLogP | 3.1163 |
| CLogS | -4.168 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 199.84 |
| Relative PSA | 0.19606 |
| PolarSurfaceArea | 54.37 |
| Druglikeness | 0.88544 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - (2E)-2-[(2-hydroxyphenyl)methylidene]naphthalene-1,4-dione | 2 - (2E)-2-[(2-hydroxyphenyl)methylidene]naphthalene-1,4-dione
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