Molecule

ID:127171

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₄S₂
Molecular Mass
254.32706
Exact Mass
254.03949894
Charge
0
InChI
InChI=1S/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
InChIKey
JMQMNWIBUCGUDO-WHFBIAKZSA-N
Canonic Smiles
N[C@H](C(=O)O)CSCSC[C@@H](C(=O)O)N
Isomeric Smiles
O=C(O)[C@@H](N)CSCSC[C@H](N)C(=O)O
Calculated Properties
JChem
Acid pKa
1.6700231
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.440454
LogD (pH = 7.4)
-5.455125
Log P
-5.4406505
Molar Refractivity
58.9733
Polarizability
23.962593
Polar Surface Area
126.64
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
References
Bioactivity
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