Molecule

ID:26319

General Information
Structure
Molecular Formula
C₁₅H₂₃NO₂S
Molecular Mass
281.41362
Exact Mass
281.14494998
Charge
0
InChI
InChI=1S/C15H23NO2S/c1-5-15(2,3)9-6-7-10-11(8-9)19-13(16)12(10)14(17)18-4/h9H,5-8,16H2,1-4H3
InChIKey
LPKSLOJMDBPGDS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(N)sc2c1CCC(C2)C(CC)(C)C
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(CC)(C)C)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
18.595566
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.092151
LogD (pH = 7.4)
5.092151
Log P
5.092151
Molar Refractivity
79.244
Polarizability
30.239777
Polar Surface Area
52.32
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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