2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide
Formula:C17H14N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide is a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide |
| MolecularFormula | C17H14N4O3S2 |
| Smiles | C=C(c(cc1)ccc1[N+]([O-])=O)NNC(CSc1nc(cccc2)c2s1)=O |
| InChI | InChI=1S/C17H14N4O3S2/c1-11(12-6-8-13(9-7-12)21(23)24)19-20-16(22)10-25-17-18-14-4-2-3-5-15(14)26-17/h2-9,19H,1,10H2,(H,20,22) |
| InChIK | HIQVNQHKFFWHTE-UHFFFAOYSA-N |
| TotalMolweight | 386.455 |
| Molweight | 386.455 |
| MonoisotopicMass | 386.050731 |
| CLogP | 1.9234 |
| CLogS | -5.473 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 280.66 |
| Relative PSA | 0.41046 |
| PolarSurfaceArea | 153.38 |
| Druglikeness | -5.3846 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide
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