Molecule

ID:27664

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₂S₂
Molecular Mass
255.35642
Exact Mass
255.03877066
Charge
0
InChI
InChI=1S/C11H13NO2S2/c1-4-8-7(3)16-10(12-6-15)9(8)11(13)14-5-2/h4-5H2,1-3H3
InChIKey
JTQFJGGAHHWOFV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N=C=S)sc(c1CC)C
Isomeric Smiles
c1(c(c(c(s1)C)CC)C(=O)OCC)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.905645
LogD (pH = 7.4)
4.905645
Log P
4.905645
Molar Refractivity
70.859
Polarizability
26.347757
Polar Surface Area
38.66
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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