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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL57394
CHEMBL57394
Compound Name
ChEMBL Synonyms Naphthalen-1-ylamine | 1-Naphthylamine
Max Phase 0
Trade Names
Molecular Formula C10H9N

Additional synonyms for CHEMBL57394 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1cccc2ccccc12
Standard InChI InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2
Standard InChI Key RUFPHBVGCFYCNW-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL57394

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
143.2 143.0735 1.99 0 26.02 NEUTRAL


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
- 4.21 2.32 2.32 2 11 0.56

Structural Alerts

There are 3 structural alerts for CHEMBL57394. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RUFPHBVGCFYCNW-UHFFFAOYSA-N
PubChem SID: 144208431 SID: 144213122 SID: 17389807
Wikipedia 1-Naphthylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL57394



ACToR 12262-09-8 25168-10-9 134-32-7
ChEBI 50450
eMolecules 499870
EPA CompTox Dashboard DTXSID7020920
FDA SRS 9753I242R5
IBM Patent System 367F76570A3B0FCA7BB6D18EF7D87CBF
KEGG Ligand C14790
Mcule MCULE-8686083679
MolPort MolPort-000-871-485
Nikkaji J2.528C
NMRShiftDB 10016010
PubChem 8640
PubChem: Thomson Pharma 15146745
SureChEMBL SCHEMBL9029
ZINC ZINC01673028

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