Molecule

ID:26660

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₉NO₂S
Molecular Mass
323.49336
Exact Mass
323.19190017
Charge
0
InChI
InChI=1S/C18H29NO2S/c1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15(14)22-17(16)19/h2-13,19H2,1H3
InChIKey
SXFRJEHYTUUCPQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)sc2c1CCCCCCCCCCC2
Isomeric Smiles
c1(c(sc2c1CCCCCCCCCCC2)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
18.617496
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.797717
LogD (pH = 7.4)
6.797717
Log P
6.797717
Molar Refractivity
93.4253
Polarizability
35.756306
Polar Surface Area
52.32
Rotatable Bonds
3
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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