Molecule

ID:133175

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₄O₆S₂
Molecular Mass
354.40312
Exact Mass
354.06677632
Charge
0
InChI
InChI=1S/C10H18N4O6S2/c11-5(9(19)13-1-7(15)16)3-21-22-4-6(12)10(20)14-2-8(17)18/h5-6H,1-4,11-12H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)
InChIKey
KDJVKDYFFTWHBO-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)NCC(=O)O)CSSCC(C(=O)NCC(=O)O)N
Isomeric Smiles
C(C(C(=O)NCC(=O)O)N)SSCC(C(=O)NCC(=O)O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-8.30
LogD (pH = 5.5)
-8.11
Log P
-8.11
Rotatable Bonds
11
H Donor
6
H Acceptors
8
Lipinski's Rule of Five
false
Acid pKa
2.95
Polar Surface Area
184.84
Polarizability
33.48
Molar Refractivity
80.48
LOG S
-2.23
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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