Molecule

ID:39375

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₄S
Molecular Mass
263.35374
Exact Mass
263.11912916
Charge
0
InChI
InChI=1S/C11H21NO4S/c1-11(2,3)16-10(15)12-8(5-6-17-4)7-9(13)14/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKey
HBFKPNZCUUZRLA-MRVPVSSYSA-N
Canonic Smiles
CSCC[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Isomeric Smiles
S(CC[C@H](CC(=O)O)NC(=O)OC(C)(C)C)C
Calculated Properties
JChem
Acid pKa
4.5794473
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.680906
LogD (pH = 7.4)
-1.0940313
Log P
1.6496379
Molar Refractivity
67.0833
Polarizability
26.530888
Polar Surface Area
75.63
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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