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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL595537
CHEMBL595537
Compound Name
ChEMBL Synonyms Naphthalene-1,8-Diamine
Max Phase 0
Trade Names
Molecular Formula C10H10N2

Additional synonyms for CHEMBL595537 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1cccc2cccc(N)c12
Standard InChI InChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-1 ...
Download InChI
Standard InChI Key YFOOEYJGMMJJLS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL595537

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
158.2 158.0844 1.25 0 52.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.46 1.28 1.28 2 12 0.57

Structural Alerts

There are 3 structural alerts for CHEMBL595537. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YFOOEYJGMMJJLS-UHFFFAOYSA-N
Wikipedia 1,8-Diaminonaphthalene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL595537



ACToR 479-27-6
Brenda 152425 148723
eMolecules 498222
EPA CompTox Dashboard DTXSID6044432
FDA SRS IKA7029YH9
IBM Patent System 39DE5E49CCD1A412974E58E2F7682C03
Mcule MCULE-9636183854
MolPort MolPort-001-759-988
Nikkaji J40.473J
NMRShiftDB 10019242
PubChem 68067
PubChem: Thomson Pharma 16081179
SureChEMBL SCHEMBL65699
ZINC ZINC000000388487

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