(Z)-4-(1-benzylindol-3-yl)-4-hydroxy-2-oxobut-3-enoic acid
Formula:C19H15NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(1-benzylindol-3-yl)-4-hydroxy-2-oxobut-3-enoic acid is a drug-like molecule.
| MolName | (Z)-4-(1-benzylindol-3-yl)-4-hydroxy-2-oxobut-3-enoic acid |
| MolecularFormula | C19H15NO4 |
| Smiles | O/C(/c1cn(Cc2ccccc2)c2c1cccc2)=C\C(C(O)=O)=O |
| InChI | InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-10,12,21H,11H2,(H,23,24) |
| InChIK | ANSRLQBLINBKAG-UHFFFAOYSA-N |
| TotalMolweight | 321.331 |
| Molweight | 321.331 |
| MonoisotopicMass | 321.100109 |
| CLogP | 1.6999 |
| CLogS | -2.432 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 243.49 |
| Relative PSA | 0.24293 |
| PolarSurfaceArea | 79.53 |
| Druglikeness | -4.3766 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| 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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