(5E)-2-amino-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-thiazol-4-one
Formula:C15H10N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-2-amino-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5E)-2-amino-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C15H10N4O4S |
| Smiles | NC(S/C1=C/c(cc2)ccc2Oc(cc2)ncc2[N+]([O-])=O)=NC1=O |
| InChI | InChI=1S/C15H10N4O4S/c16-15-18-14(20)12(24-15)7-9-1-4-11(5-2-9)23-13-6-3-10(8-17-13)19(21)22/h1-8H,(H2,16,18,20) |
| InChIK | XWTBCBVPLDSBBI-UHFFFAOYSA-N |
| TotalMolweight | 342.334 |
| Molweight | 342.334 |
| MonoisotopicMass | 342.042276 |
| CLogP | 0.7635 |
| CLogS | -5.776 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 243.39 |
| Relative PSA | 0.44661 |
| PolarSurfaceArea | 148.69 |
| Druglikeness | -2.8562 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-2-amino-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-thiazol-4-one | 2 - (5E)-2-amino-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-thiazol-4-one
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