(E)-1-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylprop-2-en-1-one
Formula:C16H12N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylprop-2-en-1-one |
| MolecularFormula | C16H12N4OS |
| Smiles | O=C(/C=C/Sc1nnnn1-c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C16H12N4OS/c21-15(13-7-3-1-4-8-13)11-12-22-16-17-18-19-20(16)14-9-5-2-6-10-14/h1-12H |
| InChIK | UQWCUYTYCUMUJQ-UHFFFAOYSA-N |
| TotalMolweight | 308.364 |
| Molweight | 308.364 |
| MonoisotopicMass | 308.073181 |
| CLogP | 2.491 |
| CLogS | -4.296 |
| H Acceptors | 5 |
| TotalSurfaceArea | 240 |
| Relative PSA | 0.29296 |
| PolarSurfaceArea | 85.97 |
| Druglikeness | 1.1266 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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