Molecule

ID:31805

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃S
Molecular Mass
242.29476
Exact Mass
242.07251332
Charge
0
InChI
InChI=1S/C10H14N2O3S/c1-15-10-7-8(11)3-4-9(10)12-5-2-6-16(12,13)14/h3-4,7H,2,5-6,11H2,1H3
InChIKey
LACGDFRCZJEONC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccc1N1CCCS1(=O)=O
Isomeric Smiles
S1(=O)(=O)N(c2c(cc(cc2)N)OC)CCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.38698038
LogD (pH = 7.4)
-0.37605327
Log P
-0.37591213
Molar Refractivity
61.8217
Polarizability
24.13497
Polar Surface Area
72.63
Rotatable Bonds
2
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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