(Z)-3-(1,3-benzothiazol-2-ylamino)-1-(4-chlorophenyl)prop-2-en-1-one
Formula:C16H11N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(1,3-benzothiazol-2-ylamino)-1-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(1,3-benzothiazol-2-ylamino)-1-(4-chlorophenyl)prop-2-en-1-one |
| MolecularFormula | C16H11N2OClS |
| Smiles | O=C(/C=C\Nc1nc(cccc2)c2s1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H11ClN2OS/c17-12-7-5-11(6-8-12)14(20)9-10-18-16-19-13-3-1-2-4-15(13)21-16/h1-10H,(H,18,19) |
| InChIK | HHLPRZWGFCZWDK-UHFFFAOYSA-N |
| TotalMolweight | 314.795 |
| Molweight | 314.795 |
| MonoisotopicMass | 314.02806 |
| CLogP | 3.8829 |
| CLogS | -5.489 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 233.45 |
| Relative PSA | 0.23915 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 1.27 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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