(E)-3-(benzotriazol-1-yl)-N,N-dibenzylprop-1-en-1-amine
Formula:C23H22N4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(benzotriazol-1-yl)-N,N-dibenzylprop-1-en-1-amine is a drug-like molecule.
| MolName | (E)-3-(benzotriazol-1-yl)-N,N-dibenzylprop-1-en-1-amine |
| MolecularFormula | C23H22N4 |
| Smiles | C(/C=C/N(Cc1ccccc1)Cc1ccccc1)n1nnc2c1cccc2 |
| InChI | InChI=1S/C23H22N4/c1-3-10-20(11-4-1)18-26(19-21-12-5-2-6-13-21)16-9-17-27-23-15-8-7-14-22(23)24-25-27/h1-16H,17-19H2 |
| InChIK | RHYPRQRUFMLXKK-UHFFFAOYSA-N |
| TotalMolweight | 354.456 |
| Molweight | 354.456 |
| MonoisotopicMass | 354.184446 |
| CLogP | 3.4006 |
| CLogS | -4.036 |
| H Acceptors | 4 |
| TotalSurfaceArea | 292.18 |
| Relative PSA | 0.11075 |
| PolarSurfaceArea | 33.95 |
| Druglikeness | -1.4819 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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