TERPIN

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Synonyms
Status
Molecule Category Free-form
UNII MPF495B08R
EPA CompTox DTXSID7023643

Structure

InChI Key RBNWAMSGVWEHFP-UHFFFAOYSA-N
Smiles CC1(O)CCC(C(C)(C)O)CC1
InChI
InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O2
Molecular Weight 172.27
AlogP 1.7
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Staphylococcus aureus
- - - - 23.8-77.9

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1651998
FDA SRS MPF495B08R
Human Metabolome Database HMDB0035595
SureChEMBL SCHEMBL19192
ZINC ZINC000000002137
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