2,4-dihydroxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
Formula:C16H14N2O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2,4-dihydroxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide is a drug-like molecule.
| MolName | 2,4-dihydroxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide |
| MolecularFormula | C16H14N2O4 |
| Smiles | Oc(cc1)cc(O)c1C(NNC(/C=C/c1ccccc1)=O)=O |
| InChI | InChI=1S/C16H14N2O4/c19-12-7-8-13(14(20)10-12)16(22)18-17-15(21)9-6-11-4-2-1-3-5-11/h1-10,19-20H,(H,17,21)(H,18,22) |
| InChIK | LJHYMQSHTNNQGA-UHFFFAOYSA-N |
| TotalMolweight | 298.297 |
| Molweight | 298.297 |
| MonoisotopicMass | 298.095358 |
| CLogP | 1.2554 |
| CLogS | -3.088 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 230.64 |
| Relative PSA | 0.32605 |
| PolarSurfaceArea | 98.66 |
| Druglikeness | 0.61199 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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