Compound Summary
kenpaullone
Compound Information
kenpaullone
Compound Name: | kenpaullone |
Compound CID: | 3820 |
Synonyms: | kenpaullone |
Iupac Name: | 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one |
InChI: | InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20) |
InChIKey: | QQUXFYAWXPMDOE-UHFFFAOYSA-N |
Canonical Smiles: | C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br |
Isomeric Smiles: | C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br |
Molecular Weight: | 327.17 |
Molecular Formula: | C16H11BrN2O |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
kenpaullone
Molecular Weight: | 327.17 |
Molecular Formula: | C16H11BrN2O |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 1 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 20 |
Complexity: | 402 |
Synonyms
kenpaullone
Experimental Data
kenpaullone
Experimental Data Visualization
kenpaullone
Statistics Data
kenpaullone
Statistics Data Visualization
kenpaullone
