Molecule

ID:103149

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈Cl₂N₂O₄S₂
Molecular Mass
341.27552
Exact Mass
340.00850443
Charge
0
InChI
InChI=1S/C8H16N2O4S2.2ClH/c1-13-7(11)5(9)3-15-16-4-6(10)8(12)14-2;;/h5-6H,3-4,9-10H2,1-2H3;2*1H/t5-,6-;;/m0../s1
InChIKey
QKWGUPFPCRKKMQ-USPAICOZSA-N
Canonic Smiles
COC(=O)[C@H](CSSC[C@@H](C(=O)OC)N)N.Cl.Cl
Isomeric Smiles
Cl.Cl.COC(=O)[C@@H](N)CSSC[C@H](N)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.973121
LogD (pH = 7.4)
-1.3405898
Log P
-1.081096
Molar Refractivity
64.41
Polarizability
26.298323
Polar Surface Area
104.64
Rotatable Bonds
9
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