(3E)-3-(1,3-benzothiazol-2-ylmethylidene)isoindol-1-one
Formula:C16H10N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-(1,3-benzothiazol-2-ylmethylidene)isoindol-1-one is a drug-like molecule.
| MolName | (3E)-3-(1,3-benzothiazol-2-ylmethylidene)isoindol-1-one |
| MolecularFormula | C16H10N2OS |
| Smiles | O=C(c1c2cccc1)N/C2=C/c1nc(cccc2)c2s1 |
| InChI | InChI=1S/C16H10N2OS/c19-16-11-6-2-1-5-10(11)13(18-16)9-15-17-12-7-3-4-8-14(12)20-15/h1-9H,(H,18,19) |
| InChIK | OTPPLCSGGYKMAA-UHFFFAOYSA-N |
| TotalMolweight | 278.334 |
| Molweight | 278.334 |
| MonoisotopicMass | 278.051383 |
| CLogP | 3.1742 |
| CLogS | -3.907 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 202.74 |
| Relative PSA | 0.27538 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 3.2328 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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