4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]benzoic acid
Formula:C26H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C26H21N3O4 |
| Smiles | OC(c1ccc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C/C=C/c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C26H21N3O4/c30-24(21-11-5-2-6-12-21)28-23(13-7-10-19-8-3-1-4-9-19)25(31)29-27-18-20-14-16-22(17-15-20)26(32)33/h1-18H,(H,28,30)(H,29,31)(H,32,33) |
| InChIK | VXJWYWRQWQCPLX-UHFFFAOYSA-N |
| TotalMolweight | 439.47 |
| Molweight | 439.47 |
| MonoisotopicMass | 439.153207 |
| CLogP | 4.96 |
| CLogS | -5.791 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 351.27 |
| Relative PSA | 0.24668 |
| PolarSurfaceArea | 107.86 |
| Druglikeness | 6.3496 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]benzoic acid
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