(E)-3-anilino-1-(2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
Formula:C18H14N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-anilino-1-(2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-anilino-1-(2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one |
| MolecularFormula | C18H14N2OS |
| Smiles | O=C(/C=C/Nc1ccccc1)c1cnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C18H14N2OS/c21-16(11-12-19-15-9-5-2-6-10-15)17-13-20-18(22-17)14-7-3-1-4-8-14/h1-13,19H |
| InChIK | FINKEXTWYXAWEH-UHFFFAOYSA-N |
| TotalMolweight | 306.388 |
| Molweight | 306.388 |
| MonoisotopicMass | 306.082683 |
| CLogP | 3.2118 |
| CLogS | -4.223 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 243.19 |
| Relative PSA | 0.22957 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 2.4334 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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