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BLAST against human drug target
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Versions and log file
1,2,4-TRICHLOROBUT-2-ENE
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Keyword(s):
Human Metabolites
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Similarity
SubStructure
Threshold (%) >=
70
Structure
InChI Key
SXCATGXBSQWDDJ-UHFFFAOYSA-N
Smiles
ClC(=CCCl)CCl
InChI
InChI=1/C4H5Cl3/c5-2-1-4(7)3-6/h1H,2-3H2
Physicochemical Descriptors
Property Name
Value
Molecular Formula
C4H5Cl3
Molecular Weight
157.95
AlogP
2.59
Number of Rotational Bond
2.0
Heavy Atoms
7.0
Cross References
Resources
Reference
CAS NUMBER
2431-54-1
NORMAN SUSDAT
NS00046872
PubChem
17074
CONTENTS
Structure
Chemical and Physical Properties