| MolName | [(Z)-[amino-(5-nitro-1,3-thiazol-2-yl)methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C11H8N5O4ClS |
| Smiles | N/C(/c1ncc([N+]([O-])=O)s1)=N\OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C11H8ClN5O4S/c12-6-1-3-7(4-2-6)15-11(18)21-16-9(13)10-14-5-8(22-10)17(19)20/h1-5H,(H2,13,16)(H,15,18) |
| InChIK | MKQAJOYCHFCZLC-UHFFFAOYSA-N |
| TotalMolweight | 341.735 |
| Molweight | 341.735 |
| MonoisotopicMass | 340.998552 |
| CLogP | 1.7701 |
| CLogS | -4.428 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 237.51 |
| Relative PSA | 0.518 |
| PolarSurfaceArea | 163.66 |
| Druglikeness | -9.4556 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(Z)-[amino-(5-nitro-1,3-thiazol-2-yl)methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(Z)-[amino-(5-nitro-1,3-thiazol-2-yl)methylidene]amino] N-(4-chlorophenyl)carbamate