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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL289824
CHEMBL289824
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H14NO2P

Additional synonyms for CHEMBL289824 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(CCc1ccccc1)P(=O)O
Standard InChI InChI=1S/C9H14NO2P/c10-9(13(11)12)7-6-8-4-2-1-3-5-8/h1-5,9,1 ...
Download InChI
Standard InChI Key BFYOJKDRJIERJF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL289824

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
199.2 199.0762 1.37 4 63.32 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.23 9.24 -.75 -3.26 1 13 0.72

Structural Alerts

There are 2 structural alerts for CHEMBL289824. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BFYOJKDRJIERJF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL289824



Brenda 150375
Nikkaji J712.243H
PubChem 101691410
PubChem: Thomson Pharma 15438533
SureChEMBL SCHEMBL11199485

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/BFYOJKDRJIERJF-UHFFFAOYSA-N spacer
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