Molecule

ID:125324

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₂S
Molecular Mass
269.40292
Exact Mass
269.14494998
Charge
0
InChI
InChI=1S/C14H23NO2S/c1-4-5-8-18-14-10-12(16-2)11(6-7-15)9-13(14)17-3/h9-10H,4-8,15H2,1-3H3
InChIKey
LGUVDOBGXUFUAJ-UHFFFAOYSA-N
Canonic Smiles
CCCCSc1cc(OC)c(cc1OC)CCN
Isomeric Smiles
COc1cc(SCCCC)c(cc1CCN)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.08305555
LogD (pH = 7.4)
0.7026954
Log P
2.9206712
Molar Refractivity
78.8945
Polarizability
30.91227
Polar Surface Area
44.48
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation