(E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Formula:C16H10N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C16H10N3O3ClS |
| Smiles | [O-][N+](c1cccc(/C=C/C(Nc2nc(ccc(Cl)c3)c3s2)=O)c1)=O |
| InChI | InChI=1S/C16H10ClN3O3S/c17-11-5-6-13-14(9-11)24-16(18-13)19-15(21)7-4-10-2-1-3-12(8-10)20(22)23/h1-9H,(H,18,19,21) |
| InChIK | RSCPSBOHNNUUSU-UHFFFAOYSA-N |
| TotalMolweight | 359.792 |
| Molweight | 359.792 |
| MonoisotopicMass | 359.013139 |
| CLogP | 3.6231 |
| CLogS | -5.661 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 257.12 |
| Relative PSA | 0.33545 |
| PolarSurfaceArea | 116.05 |
| Druglikeness | -4.8196 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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