(Z)-4-(1,3-benzothiazol-2-yl)-5-[4-(trifluoromethyl)phenyl]pent-4-enoic acid
Formula:C19H14NO2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(1,3-benzothiazol-2-yl)-5-[4-(trifluoromethyl)phenyl]pent-4-enoic acid is a drug-like molecule.
| MolName | (Z)-4-(1,3-benzothiazol-2-yl)-5-[4-(trifluoromethyl)phenyl]pent-4-enoic acid |
| MolecularFormula | C19H14NO2F3S |
| Smiles | OC(CC/C(/c1nc(cccc2)c2s1)=C/c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C19H14F3NO2S/c20-19(21,22)14-8-5-12(6-9-14)11-13(7-10-17(24)25)18-23-15-3-1-2-4-16(15)26-18/h1-6,8-9,11H,7,10H2,(H,24,25) |
| InChIK | YMIVIBGGFMZJCU-UHFFFAOYSA-N |
| TotalMolweight | 377.385 |
| Molweight | 377.385 |
| MonoisotopicMass | 377.069733 |
| CLogP | 4.575 |
| CLogS | -4.538 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 268.11 |
| Relative PSA | 0.21435 |
| PolarSurfaceArea | 78.43 |
| Druglikeness | -6.6903 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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