Structure

InChI Key UZFMOKQJFYMBGY-UHFFFAOYSA-N
Smile CC1(C)CC(O)CC(C)(C)N1[O]
InChI
InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18NO2
Molecular Weight 172.25
AlogP 1.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 43.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alopecia 2 D000505 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Cardiovascular Diseases 1 D002318 ClinicalTrials
Anus Neoplasms 1 D001005 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 2226-96-2
ChEMBL CHEMBL607023
DrugBank DB12449
EPA CompTox DTXSID4041280
FDA SRS U78ZX2F65X
PubChem 137994
SureChEMBL SCHEMBL23234
ZINC ZINC000100004133