Molecule

ID:31806

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃S
Molecular Mass
242.29476
Exact Mass
242.07251332
Charge
0
InChI
InChI=1S/C10H14N2O3S/c1-15-10-4-3-8(11)7-9(10)12-5-2-6-16(12,13)14/h3-4,7H,2,5-6,11H2,1H3
InChIKey
PRFKUTSKOLJLIW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N1CCCS1(=O)=O)N
Isomeric Smiles
S1(=O)(=O)N(c2cc(N)ccc2OC)CCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.47309253
LogD (pH = 7.4)
-0.37728304
Log P
-0.37591213
Molar Refractivity
61.8217
Polarizability
24.135122
Polar Surface Area
72.63
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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