Molecule

ID:62759

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₅S
Molecular Mass
238.26146
Exact Mass
238.06234256
Charge
0
InChI
InChI=1S/C7H14N2O5S/c1-8(2)15(12,13)9-3-4-14-5-6(9)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey
BISWBUCIOVNXFQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1COCCN1S(=O)(=O)N(C)C
Isomeric Smiles
S(=O)(=O)(N1C(C(=O)O)COCC1)N(C)C
Calculated Properties
JChem
Acid pKa
3.285588
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-3.8221042
LogD (pH = 7.4)
-5.0543647
Log P
-1.6251605
Molar Refractivity
51.3328
Polarizability
21.18224
Polar Surface Area
87.15
Rotatable Bonds
1
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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