benzyl (E)-2-[(4-iodobenzoyl)amino]-3-phenylprop-2-enoate
Formula:C23H18NO3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl (E)-2-[(4-iodobenzoyl)amino]-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | benzyl (E)-2-[(4-iodobenzoyl)amino]-3-phenylprop-2-enoate |
| MolecularFormula | C23H18NO3I |
| Smiles | O=C(/C(/NC(c(cc1)ccc1I)=O)=C\c1ccccc1)OCc1ccccc1 |
| InChI | InChI=1S/C23H18INO3/c24-20-13-11-19(12-14-20)22(26)25-21(15-17-7-3-1-4-8-17)23(27)28-16-18-9-5-2-6-10-18/h1-15H,16H2,(H,25,26) |
| InChIK | XJNYCBAKYZYWPO-UHFFFAOYSA-N |
| TotalMolweight | 483.3 |
| Molweight | 483.3 |
| MonoisotopicMass | 483.033142 |
| CLogP | 5.0445 |
| CLogS | -5.841 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 314.49 |
| Relative PSA | 0.15117 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | 2.9134 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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