BPH-252   Click here for help

GtoPdb Ligand ID: 3198

Synonyms: BPH 252 | BPH252
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 10
Topological polar surface area 154.91
Molecular weight 318.1
XLogP 0.53
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCC(P(=O)(O)O)(P(=O)(O)O)O
Isomeric SMILES CCCCCCCCCC(P(=O)(O)O)(P(=O)(O)O)O
InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
InChI Key NSCPCMXKWUFFNL-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel