(E)-3-[3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenyl]prop-2-enoate
Formula:C17H12N4O2FS
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
(E)-3-[3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenyl]prop-2-enoate |
| MolecularFormula | C17H12N4O2FS |
| Smiles | [O-]C(/C=C/c1cccc(-n2nnnc2SCc(cccc2)c2F)c1)=O |
| InChI | InChI=1S/C17H13FN4O2S/c18-15-7-2-1-5-13(15)11-25-17-19-20-21-22(17)14-6-3-4-12(10-14)8-9-16(23)24/h1-10H,11H2,(H,23,24)/p-1 |
| InChIK | MPKUAGVSRWIZKD-UHFFFAOYSA-M |
| TotalMolweight | 355.372 |
| Molweight | 355.372 |
| MonoisotopicMass | 355.066499 |
| CLogP | 0.6008 |
| CLogS | -4.81 |
| H Acceptors | 6 |
| TotalSurfaceArea | 267.64 |
| Relative PSA | 0.31606 |
| PolarSurfaceArea | 109.03 |
| Druglikeness | -0.528 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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