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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 1-Naphthylamine | Naphthalen-1-ylamine
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

Structural Alerts

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

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

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
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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