(E)-3-(4-iodoanilino)-1-(2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
Formula:C18H13N2OIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-iodoanilino)-1-(2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-iodoanilino)-1-(2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one |
| MolecularFormula | C18H13N2OIS |
| Smiles | O=C(/C=C/Nc(cc1)ccc1I)c1cnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C18H13IN2OS/c19-14-6-8-15(9-7-14)20-11-10-16(22)17-12-21-18(23-17)13-4-2-1-3-5-13/h1-12,20H |
| InChIK | NXDDUILOTWHCFG-UHFFFAOYSA-N |
| TotalMolweight | 432.28 |
| Molweight | 432.28 |
| MonoisotopicMass | 431.979331 |
| CLogP | 3.6489 |
| CLogS | -5.239 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 269.47 |
| Relative PSA | 0.20718 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 2.9512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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