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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL127202
CHEMBL127202
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H19NO2

Additional synonyms for CHEMBL127202 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CCN)c(OC)c(C)c1C
Standard InChI InChI=1S/C12H19NO2/c1-8-9(2)12(15-4)10(5-6-13)7-11(8)14-3/h7 ...
Download InChI
Standard InChI Key NFOHGLKGLZIHJQ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL127202

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
209.3 209.1416 2.2 4 44.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.74 2.47 .2 1 15 0.83

Structural Alerts

There are 1 structural alerts for CHEMBL127202. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NFOHGLKGLZIHJQ-UHFFFAOYSA-N
Wikipedia 2C-G

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL127202



EPA CompTox Dashboard DTXSID70174848
FDA SRS DTG7FMO01J
IBM Patent System 62DE0A782F5A223D09A51A2F7FBAAC69
Nikkaji J1.017.131H
PubChem 22238091
SureChEMBL SCHEMBL14655685

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