(E)-3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-chlorophenyl)prop-2-en-1-one
Formula:C16H10NO2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-chlorophenyl)prop-2-en-1-one |
| MolecularFormula | C16H10NO2ClS |
| Smiles | O=C(/C=C/Sc1nc(cccc2)c2o1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H10ClNO2S/c17-12-7-5-11(6-8-12)14(19)9-10-21-16-18-13-3-1-2-4-15(13)20-16/h1-10H |
| InChIK | OAWJUYRVHUPOFL-UHFFFAOYSA-N |
| TotalMolweight | 315.779 |
| Molweight | 315.779 |
| MonoisotopicMass | 315.012076 |
| CLogP | 4.2102 |
| CLogS | -5.578 |
| H Acceptors | 3 |
| TotalSurfaceArea | 233.23 |
| Relative PSA | 0.23843 |
| PolarSurfaceArea | 68.4 |
| Druglikeness | 0.94582 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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