(E)-3-(2-phenyltriazol-4-yl)prop-2-enoic acid
Formula:C11H9N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-3-(2-phenyltriazol-4-yl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(2-phenyltriazol-4-yl)prop-2-enoic acid |
| MolecularFormula | C11H9N3O2 |
| Smiles | OC(/C=C/c1nn(-c2ccccc2)nc1)=O |
| InChI | InChI=1S/C11H9N3O2/c15-11(16)7-6-9-8-12-14(13-9)10-4-2-1-3-5-10/h1-8H,(H,15,16) |
| InChIK | SWDBQUZCLPBXSD-UHFFFAOYSA-N |
| TotalMolweight | 215.211 |
| Molweight | 215.211 |
| MonoisotopicMass | 215.069477 |
| CLogP | 0.7648 |
| CLogS | -1.548 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 170.34 |
| Relative PSA | 0.32259 |
| PolarSurfaceArea | 68.01 |
| Druglikeness | 3.7794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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