Molecule

ID:133373

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N₃O₅S
Molecular Mass
307.36654
Exact Mass
307.12019179
Charge
0
InChI
InChI=1S/C11H21N3O5S/c1-6(9(16)14-8(5-15)11(18)19)13-10(17)7(12)3-4-20-2/h6-8,15H,3-5,12H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)/t6-,7-,8-/m0/s1
InChIKey
WXHHTBVYQOSYSL-FXQIFTODSA-N
Canonic Smiles
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)C)N
Isomeric Smiles
C[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCSC)N
Calculated Properties
JChem
Acid pKa
3.3551128
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-4.312006
LogD (pH = 7.4)
-4.380542
Log P
-4.312393
Molar Refractivity
73.7245
Polarizability
29.291117
Polar Surface Area
141.75
Rotatable Bonds
9
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
References
Bioactivity
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