(Z)-4-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)pent-4-enoic acid
Formula:C18H14NO2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)pent-4-enoic acid is a drug-like molecule.
| MolName | (Z)-4-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)pent-4-enoic acid |
| MolecularFormula | C18H14NO2FS |
| Smiles | OC(CC/C(/c1nc(cccc2)c2s1)=C/c1cc(F)ccc1)=O |
| InChI | InChI=1S/C18H14FNO2S/c19-14-5-3-4-12(11-14)10-13(8-9-17(21)22)18-20-15-6-1-2-7-16(15)23-18/h1-7,10-11H,8-9H2,(H,21,22) |
| InChIK | YNZQJZGHPGBXDI-UHFFFAOYSA-N |
| TotalMolweight | 327.378 |
| Molweight | 327.378 |
| MonoisotopicMass | 327.072927 |
| CLogP | 3.8275 |
| CLogS | -4.074 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 245 |
| Relative PSA | 0.23457 |
| PolarSurfaceArea | 78.43 |
| Druglikeness | -0.84034 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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