(4E)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
Formula:C19H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (4E)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid |
| MolecularFormula | C19H17N3O3 |
| Smiles | OC(CC/C(/c1ccccc1)=N\NC(c1c[nH]c2c1cccc2)=O)=O |
| InChI | InChI=1S/C19H17N3O3/c23-18(24)11-10-16(13-6-2-1-3-7-13)21-22-19(25)15-12-20-17-9-5-4-8-14(15)17/h1-9,12,20H,10-11H2,(H,22,25)(H,23,24) |
| InChIK | JEQGSSXFQBRJID-UHFFFAOYSA-N |
| TotalMolweight | 335.362 |
| Molweight | 335.362 |
| MonoisotopicMass | 335.126992 |
| CLogP | 2.8114 |
| CLogS | -4.621 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 260.99 |
| Relative PSA | 0.29174 |
| PolarSurfaceArea | 94.55 |
| Druglikeness | 3.0541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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