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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL30294
CHEMBL30294
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H13N

Additional synonyms for CHEMBL30294 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1CCc2ccccc2C1
Standard InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7, ...
Download InChI
Standard InChI Key LCGFVWKNXLRFIF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL30294

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
147.2 147.1048 1.5 0 26.02 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.5 2.1 -.7 1 11 0.59

Structural Alerts

There are no structural alerts for CHEMBL30294

Compound Cross References

ChemSpider ChemSpider:LCGFVWKNXLRFIF-UHFFFAOYSA-N
Wikipedia 2-Aminotetralin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL30294



BindingDB 23981
Brenda 107824 90971
ChEBI 125359
eMolecules 969375
IBM Patent System C5140923415DB7187BDBA4C26B7392A7
LINCS LSM-36833
MolPort MolPort-001-779-767
Nikkaji J54.246F
PubChem 34677
PubChem: Thomson Pharma 15412956
SureChEMBL SCHEMBL42952

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