Molecule
ID:122429
General Information
Molecular Formula
C₁₄H₂₀N₂O₅S
Molecular Mass
328.384
Exact Mass
328.10929275
Charge
0
InChI
InChI=1S/C14H20N2O5S/c1-4-9(2)13(14(18)19)16-22(20,21)12-7-5-11(6-8-12)15-10(3)17/h5-9,13,16H,4H2,1-3H3,(H,15,17)(H,18,19)/t9?,13-/m0/s1
InChIKey
TZRUSBRYPGPVPQ-NCWAPJAISA-N
Canonic Smiles
CCC([C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)NC(=O)C)C
Isomeric Smiles
S(=O)(=O)(N[C@H](C(=O)O)C(CC)C)c1ccc(NC(=O)C)cc1
Calculated Properties
JChem
Acid pKa
3.1856308
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.8713119
LogD (pH = 7.4)
-2.0290487
Log P
1.4194745
Molar Refractivity
82.1507
Polarizability
32.142265
Polar Surface Area
112.57
Rotatable Bonds
6
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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