(E)-N-(6-chloro-2-phenylbenzotriazol-5-yl)-3-phenylprop-2-enamide
Formula:C21H15N4OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-(6-chloro-2-phenylbenzotriazol-5-yl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(6-chloro-2-phenylbenzotriazol-5-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C21H15N4OCl |
| Smiles | O=C(/C=C/c1ccccc1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl |
| InChI | InChI=1S/C21H15ClN4O/c22-17-13-19-20(25-26(24-19)16-9-5-2-6-10-16)14-18(17)23-21(27)12-11-15-7-3-1-4-8-15/h1-14H,(H,23,27) |
| InChIK | FYEBAHGFXYKAFN-UHFFFAOYSA-N |
| TotalMolweight | 374.83 |
| Molweight | 374.83 |
| MonoisotopicMass | 374.093438 |
| CLogP | 4.4186 |
| CLogS | -5.155 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.23 |
| Relative PSA | 0.1869 |
| PolarSurfaceArea | 59.81 |
| Druglikeness | 2.9087 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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