Molecule

ID:136188

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O₄S₂
Molecular Mass
242.2872978
Exact Mass
242.01791866
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/i7+1,8+1
InChIKey
LEVWYRKDKASIDU-NHLQVRHMSA-N
Canonic Smiles
[15NH2][C@H](C(=O)O)CSSC[C@@H](C(=O)O)[15NH2]
Isomeric Smiles
C([C@@H](C(=O)O)[15NH2])SSC[C@@H](C(=O)O)[15NH2]
Calculated Properties
JChem
Acid pKa
1.5564231
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.897319
LogD (pH = 7.4)
-5.9155164
Log P
-5.897688
Molar Refractivity
54.8718
Polarizability
22.177225
Polar Surface Area
126.64
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation