[(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 2-chloropyridine-3-carboxylate
Formula:C15H10N5O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 2-chloropyridine-3-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 2-chloropyridine-3-carboxylate |
| MolecularFormula | C15H10N5O2ClS |
| Smiles | N/C(/c(cc1)ccc1-c1csnn1)=N/OC(c1cccnc1Cl)=O |
| InChI | InChI=1S/C15H10ClN5O2S/c16-13-11(2-1-7-18-13)15(22)23-20-14(17)10-5-3-9(4-6-10)12-8-24-21-19-12/h1-8H,(H2,17,20) |
| InChIK | ZPQMTDQFQYPEML-UHFFFAOYSA-N |
| TotalMolweight | 359.796 |
| Molweight | 359.796 |
| MonoisotopicMass | 359.024372 |
| CLogP | 3.4556 |
| CLogS | -4.655 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 259.66 |
| Relative PSA | 0.39702 |
| PolarSurfaceArea | 131.59 |
| Druglikeness | -5.7888 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - [(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 2-chloropyridine-3-carboxylate | 2 - [(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 2-chloropyridine-3-carboxylate
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