[(E)-[amino-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methylidene]amino] cyclopropanecarboxylate
Formula:C14H11N3O2F2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methylidene]amino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methylidene]amino] cyclopropanecarboxylate |
| MolecularFormula | C14H11N3O2F2S |
| Smiles | N/C(/c1csc(-c(ccc(F)c2)c2F)n1)=N/OC(C1CC1)=O |
| InChI | InChI=1S/C14H11F2N3O2S/c15-8-3-4-9(10(16)5-8)13-18-11(6-22-13)12(17)19-21-14(20)7-1-2-7/h3-7H,1-2H2,(H2,17,19) |
| InChIK | RSNPBRSJDQOUKX-UHFFFAOYSA-N |
| TotalMolweight | 323.322 |
| Molweight | 323.322 |
| MonoisotopicMass | 323.054003 |
| CLogP | 2.8571 |
| CLogS | -3.861 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 226.18 |
| Relative PSA | 0.35879 |
| PolarSurfaceArea | 105.81 |
| Druglikeness | 0.41762 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methylidene]amino] cyclopropanecarboxylate | 2 - [(E)-[amino-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methylidene]amino] cyclopropanecarboxylate
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