[(Z)-[1,3-benzothiazol-2-yl(cyano)methylidene]amino] furan-2-carboxylate
Formula:C14H7N3O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[1,3-benzothiazol-2-yl(cyano)methylidene]amino] furan-2-carboxylate is a drug-like molecule.
| MolName | [(Z)-[1,3-benzothiazol-2-yl(cyano)methylidene]amino] furan-2-carboxylate |
| MolecularFormula | C14H7N3O3S |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=N/OC(c1ccco1)=O |
| InChI | InChI=1S/C14H7N3O3S/c15-8-10(17-20-14(18)11-5-3-7-19-11)13-16-9-4-1-2-6-12(9)21-13/h1-7H |
| InChIK | PIJYDXIJRXVJEH-UHFFFAOYSA-N |
| TotalMolweight | 297.294 |
| Molweight | 297.294 |
| MonoisotopicMass | 297.020812 |
| CLogP | 2.2975 |
| CLogS | -4.225 |
| H Acceptors | 6 |
| TotalSurfaceArea | 224.44 |
| Relative PSA | 0.41682 |
| PolarSurfaceArea | 116.72 |
| Druglikeness | -4.7999 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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