(E)-N-(1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
Formula:C16H11N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide |
| MolecularFormula | C16H11N3O3S |
| Smiles | [O-][N+](c1c(/C=C/C(Nc2nc(cccc3)c3s2)=O)cccc1)=O |
| InChI | InChI=1S/C16H11N3O3S/c20-15(10-9-11-5-1-3-7-13(11)19(21)22)18-16-17-12-6-2-4-8-14(12)23-16/h1-10H,(H,17,18,20) |
| InChIK | WXSMTMRXLAZMJL-UHFFFAOYSA-N |
| TotalMolweight | 325.347 |
| Molweight | 325.347 |
| MonoisotopicMass | 325.052112 |
| CLogP | 3.0171 |
| CLogS | -4.925 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 241.7 |
| Relative PSA | 0.35685 |
| PolarSurfaceArea | 116.05 |
| Druglikeness | -4.9026 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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