N-(benzotriazol-1-ylmethyl)-N-[(Z)-benzylideneamino]aniline
Formula:C20H17N5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-(benzotriazol-1-ylmethyl)-N-[(Z)-benzylideneamino]aniline is a drug-like molecule.
| MolName | N-(benzotriazol-1-ylmethyl)-N-[(Z)-benzylideneamino]aniline |
| MolecularFormula | C20H17N5 |
| Smiles | C(N(c1ccccc1)/N=C\c1ccccc1)n1nnc2c1cccc2 |
| InChI | InChI=1S/C20H17N5/c1-3-9-17(10-4-1)15-21-24(18-11-5-2-6-12-18)16-25-20-14-8-7-13-19(20)22-23-25/h1-15H,16H2 |
| InChIK | BSWVGGXJCOTFIJ-UHFFFAOYSA-N |
| TotalMolweight | 327.39 |
| Molweight | 327.39 |
| MonoisotopicMass | 327.148395 |
| CLogP | 4.6449 |
| CLogS | -4.596 |
| H Acceptors | 5 |
| TotalSurfaceArea | 262.92 |
| Relative PSA | 0.16686 |
| PolarSurfaceArea | 46.31 |
| Druglikeness | -0.69605 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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