Compound Summary
Compound Name: | Plumbagin |
Compound CID: | 10205 |
Synonyms: | Plumbagin |
Iupac Name: | 5-hydroxy-2-methylnaphthalene-1,4-dione |
InChI: | InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3 |
InChIKey: | VCMMXZQDRFWYSE-UHFFFAOYSA-N |
Canonical Smiles: | CC1=CC(=O)C2=C(C1=O)C=CC=C2O |
Isomeric Smiles: | CC1=CC(=O)C2=C(C1=O)C=CC=C2O |
Molecular Weight: | 188.18 |
Molecular Formula: | C11H8O3 |
Molecular Weight: | 188.18 |
Molecular Formula: | C11H8O3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 14 |
Complexity: | 317 |