Molecule

ID:24

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O₄S₂
Molecular Mass
240.30048
Exact Mass
240.02384887
Charge
0
InChI
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
InChIKey
LEVWYRKDKASIDU-IMJSIDKUSA-N
Canonic Smiles
N[C@H](C(=O)O)CSSC[C@@H](C(=O)O)N
Isomeric Smiles
S(SC[C@H](N)C(=O)O)C[C@H](N)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.92
LogD (pH = 5.5)
-5.90
Log P
-5.90
Rotatable Bonds
7
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
1.56
Polar Surface Area
126.64
Polarizability
22.77
Molar Refractivity
54.87
LOG S
-1.68
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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