2-(benzotriazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C17H15N5O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(benzotriazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(benzotriazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C17H15N5O |
| Smiles | O=C(Cn1nnc2c1cccc2)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C17H15N5O/c23-17(13-22-16-11-5-4-10-15(16)19-21-22)20-18-12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,23) |
| InChIK | BHWQEGFXPFAJBZ-UHFFFAOYSA-N |
| TotalMolweight | 305.34 |
| Molweight | 305.34 |
| MonoisotopicMass | 305.12766 |
| CLogP | 1.8618 |
| CLogS | -3.632 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 248.57 |
| Relative PSA | 0.26077 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 1.2334 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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