3-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]-1,3-dihydroindol-2-one
Formula:C12H9N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]-1,3-dihydroindol-2-one is a drug-like molecule.
| MolName | 3-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]-1,3-dihydroindol-2-one |
| MolecularFormula | C12H9N4O2ClS |
| Smiles | O=C(C1/C=N\OCc(nns2)c2Cl)Nc2c1cccc2 |
| InChI | InChI=1S/C12H9ClN4O2S/c13-11-10(16-17-20-11)6-19-14-5-8-7-3-1-2-4-9(7)15-12(8)18/h1-5,8H,6H2,(H,15,18)/t8-/m0/s1 |
| InChIK | YKGKTSPGMURKRR-QMMMGPOBSA-N |
| TotalMolweight | 308.748 |
| Molweight | 308.748 |
| MonoisotopicMass | 308.013473 |
| CLogP | 2.3472 |
| CLogS | -4.199 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 218.63 |
| Relative PSA | 0.40392 |
| PolarSurfaceArea | 104.71 |
| Druglikeness | -0.60248 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 3-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]-1,3-dihydroindol-2-one | 2 - 3-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]-1,3-dihydroindol-2-one
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