Molecule

ID:133964

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄O₇S
Molecular Mass
336.32164
Exact Mass
336.07396987
Charge
0
InChI
InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t5-,6-/m0/s1
InChIKey
HYHSBSXUHZOYLX-WDSKDSINSA-N
Canonic Smiles
O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Isomeric Smiles
C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-7.52
LogD (pH = 5.5)
-5.78
Log P
-4.75
Rotatable Bonds
11
H Donor
5
H Acceptors
9
Lipinski's Rule of Five
true
Acid pKa
3.02
Polar Surface Area
188.25
Polarizability
30.92
Molar Refractivity
74.48
LOG S
-1.94
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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