1-[(E)-3-(2,3-dihydroindol-1-yl)prop-2-enyl]benzotriazole
Formula:C17H16N4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(E)-3-(2,3-dihydroindol-1-yl)prop-2-enyl]benzotriazole is a drug-like molecule.
| MolName | 1-[(E)-3-(2,3-dihydroindol-1-yl)prop-2-enyl]benzotriazole |
| MolecularFormula | C17H16N4 |
| Smiles | C(/C=C/N(CC1)c2c1cccc2)n1nnc2c1cccc2 |
| InChI | InChI=1S/C17H16N4/c1-3-8-16-14(6-1)10-13-20(16)11-5-12-21-17-9-4-2-7-15(17)18-19-21/h1-9,11H,10,12-13H2 |
| InChIK | MQLOGPXFBQBFDC-UHFFFAOYSA-N |
| TotalMolweight | 276.342 |
| Molweight | 276.342 |
| MonoisotopicMass | 276.137496 |
| CLogP | 2.3934 |
| CLogS | -3.584 |
| H Acceptors | 4 |
| TotalSurfaceArea | 218.92 |
| Relative PSA | 0.14782 |
| PolarSurfaceArea | 33.95 |
| Druglikeness | -1.7283 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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