(E)-2-(benzotriazol-1-yl)-1,3-diphenylprop-2-en-1-one
Formula:C21H15N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-(benzotriazol-1-yl)-1,3-diphenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2-(benzotriazol-1-yl)-1,3-diphenylprop-2-en-1-one |
| MolecularFormula | C21H15N3O |
| Smiles | O=C(/C(/n1nnc2c1cccc2)=C\c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H15N3O/c25-21(17-11-5-2-6-12-17)20(15-16-9-3-1-4-10-16)24-19-14-8-7-13-18(19)22-23-24/h1-15H |
| InChIK | BFNPRTJGNLQJHT-UHFFFAOYSA-N |
| TotalMolweight | 325.37 |
| Molweight | 325.37 |
| MonoisotopicMass | 325.121512 |
| CLogP | 4.1134 |
| CLogS | -5.539 |
| H Acceptors | 4 |
| TotalSurfaceArea | 256.56 |
| Relative PSA | 0.16312 |
| PolarSurfaceArea | 47.78 |
| Druglikeness | -2.0456 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-(benzotriazol-1-yl)-1,3-diphenylprop-2-en-1-one | 2 - (E)-2-(benzotriazol-1-yl)-1,3-diphenylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off