4-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]benzoic acid
Formula:C17H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]benzoic acid |
| MolecularFormula | C17H13N3O3 |
| Smiles | OC(c1ccc(/C=N\NC(c2c[nH]c3c2cccc3)=O)cc1)=O |
| InChI | InChI=1S/C17H13N3O3/c21-16(14-10-18-15-4-2-1-3-13(14)15)20-19-9-11-5-7-12(8-6-11)17(22)23/h1-10,18H,(H,20,21)(H,22,23) |
| InChIK | XEPMULQFMOQDSG-UHFFFAOYSA-N |
| TotalMolweight | 307.308 |
| Molweight | 307.308 |
| MonoisotopicMass | 307.095692 |
| CLogP | 2.7261 |
| CLogS | -4.259 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 235.26 |
| Relative PSA | 0.32364 |
| PolarSurfaceArea | 94.55 |
| Druglikeness | 5.2329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]benzoic acid | 2 - 4-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]benzoic acid
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