(E)-3-[3-(tetrazol-1-yl)phenyl]prop-2-enoate
Formula:C10H7N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-(tetrazol-1-yl)phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[3-(tetrazol-1-yl)phenyl]prop-2-enoate |
| MolecularFormula | C10H7N4O2 |
| Smiles | [O-]C(/C=C/c1cc(-n2nnnc2)ccc1)=O |
| InChI | InChI=1S/C10H8N4O2/c15-10(16)5-4-8-2-1-3-9(6-8)14-7-11-12-13-14/h1-7H,(H,15,16)/p-1 |
| InChIK | JTVDEJZWNSBOEW-UHFFFAOYSA-M |
| TotalMolweight | 215.192 |
| Molweight | 215.192 |
| MonoisotopicMass | 215.056901 |
| CLogP | -1.7035 |
| CLogS | -2.298 |
| H Acceptors | 6 |
| TotalSurfaceArea | 170.28 |
| Relative PSA | 0.39406 |
| PolarSurfaceArea | 83.73 |
| Druglikeness | 0.30437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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