(Z)-4-oxo-4-(4-phenylmethoxyanilino)but-2-enoic acid
Formula:C17H15NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-oxo-4-(4-phenylmethoxyanilino)but-2-enoic acid is a drug-like molecule.
| MolName | (Z)-4-oxo-4-(4-phenylmethoxyanilino)but-2-enoic acid |
| MolecularFormula | C17H15NO4 |
| Smiles | OC(/C=C\C(Nc(cc1)ccc1OCc1ccccc1)=O)=O |
| InChI | InChI=1S/C17H15NO4/c19-16(10-11-17(20)21)18-14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,18,19)(H,20,21) |
| InChIK | JCERXBPZYFMHAK-UHFFFAOYSA-N |
| TotalMolweight | 297.309 |
| Molweight | 297.309 |
| MonoisotopicMass | 297.100109 |
| CLogP | 2.0917 |
| CLogS | -3.086 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 236.59 |
| Relative PSA | 0.25631 |
| PolarSurfaceArea | 75.63 |
| Druglikeness | 0.95385 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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