2-[(E)-3-(benzenesulfonyl)prop-1-enyl]benzotriazole
Formula:C15H13N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-3-(benzenesulfonyl)prop-1-enyl]benzotriazole is a drug-like molecule.
| MolName | 2-[(E)-3-(benzenesulfonyl)prop-1-enyl]benzotriazole |
| MolecularFormula | C15H13N3O2S |
| Smiles | O=S(C/C=C/n1nc(cccc2)c2n1)(c1ccccc1)=O |
| InChI | InChI=1S/C15H13N3O2S/c19-21(20,13-7-2-1-3-8-13)12-6-11-18-16-14-9-4-5-10-15(14)17-18/h1-11H,12H2 |
| InChIK | IPXVJMGLWOLPCX-UHFFFAOYSA-N |
| TotalMolweight | 299.353 |
| Molweight | 299.353 |
| MonoisotopicMass | 299.072847 |
| CLogP | 1.8186 |
| CLogS | -2.777 |
| H Acceptors | 5 |
| TotalSurfaceArea | 223.18 |
| Relative PSA | 0.25715 |
| PolarSurfaceArea | 73.23 |
| Druglikeness | -10.398 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-3-(benzenesulfonyl)prop-1-enyl]benzotriazole | 2 - 2-[(E)-3-(benzenesulfonyl)prop-1-enyl]benzotriazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off