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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3188826
CHEMBL3188826
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H6

Additional synonyms for CHEMBL3188826 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1C=CC=C1
Standard InChI InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2
Standard InChI Key ZSWFCLXCOIISFI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3188826

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
66.1 66.047 1.5 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.09 2.09 0 5 0.4

Structural Alerts

There are no structural alerts for CHEMBL3188826

Compound Cross References

ChemSpider ChemSpider:ZSWFCLXCOIISFI-UHFFFAOYSA-N
PubChem SID: 144212451

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3188826



ACToR 542-92-7 26912-33-4
ChEBI 30664
EPA CompTox Dashboard DTXSID0027191
FDA SRS 5DFH9434HF
Human Metabolome Database HMDB0061878
IBM Patent System 0F6970EF99C5F3ADA0DB7E9A067C7D6F 12D668613C132B2F29D85DEDF231FF71 E349B64C42AA7ED8DF65C3CA9CA55C78
MolPort MolPort-001-781-681
Nikkaji J1.603I
NMRShiftDB 10016465
PubChem 7612
PubChem: Thomson Pharma 15170335
SureChEMBL SCHEMBL9377
ZINC ZINC000043411910

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