Molecule
ID:122435
General Information
Molecular Formula
C₁₄H₂₀N₂O₅S
Molecular Mass
328.384
Exact Mass
328.10929275
Charge
0
InChI
InChI=1S/C14H20N2O5S/c1-11(17)16-12-6-8-13(9-7-12)22(20,21)15-10-4-2-3-5-14(18)19/h6-9,15H,2-5,10H2,1H3,(H,16,17)(H,18,19)
InChIKey
VAMDLDWUZLFERJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCNS(=O)(=O)c1ccc(cc1)NC(=O)C
Isomeric Smiles
S(=O)(=O)(c1ccc(NC(=O)C)cc1)NCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.4973655
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.0607569
LogD (pH = 7.4)
-2.4432902
Log P
0.9334576
Molar Refractivity
82.7166
Polarizability
32.142365
Polar Surface Area
112.57
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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