Molecule

ID:17552

General Information
Structure
Molecular Formula
C₁₀H₁₄N₂O₅S
Molecular Mass
274.29356
Exact Mass
274.06234256
Charge
0
InChI
InChI=1S/C10H14N2O5S/c1-6-9(7(2)17-11-6)18(15,16)12-5-3-4-8(12)10(13)14/h8H,3-5H2,1-2H3,(H,13,14)
InChIKey
WIHCNDLCRKFZTR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN1S(=O)(=O)c1c(C)noc1C
Isomeric Smiles
S(=O)(=O)(N1C(CCC1)C(=O)O)c1c(noc1C)C
Calculated Properties
JChem
Acid pKa
3.2287183
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.433083
LogD (pH = 7.4)
-3.6225371
Log P
-0.18215732
Molar Refractivity
62.5634
Polarizability
24.374718
Polar Surface Area
100.71
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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