Structure

InChI Key MBRHNTMUYWQHMR-UHFFFAOYSA-N
Smile Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO
InChI
InChI=1S/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10,15H,2-6H2,1H3;4H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24N2O3
Molecular Weight 268.36
AlogP 2.44
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 42.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tinea Pedis 3 D014008 ClinicalTrials
Dermatitis, Seborrheic 3 D012628 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
ChEMBL CHEMBL242580
EPA CompTox DTXSID6045583
FDA SRS 50MD4SB4AP
PubChem 38911
SureChEMBL SCHEMBL66960