Molecule

ID:27651

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₂S₂
Molecular Mass
295.42028
Exact Mass
295.07007079
Charge
0
InChI
InChI=1S/C14H17NO2S2/c1-2-17-14(16)12-10-7-5-3-4-6-8-11(10)19-13(12)15-9-18/h2-8H2,1H3
InChIKey
JWULXKRZRPIJJT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N=C=S)sc2c1CCCCCC2
Isomeric Smiles
c1(c(c2c(s1)CCCCCC2)C(=O)OCC)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.7756248
LogD (pH = 7.4)
5.7756248
Log P
5.7756248
Molar Refractivity
82.7828
Polarizability
31.13691
Polar Surface Area
38.66
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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