Molecule

ID:55667

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂Cl₂N₂S
Molecular Mass
215.14388
Exact Mass
214.00982475
Charge
0
InChI
InChI=1S/C6H10N2S.2ClH/c1-2-5(7)6-8-3-4-9-6;;/h3-5H,2,7H2,1H3;2*1H
InChIKey
CJGWSBKZSVHWKS-UHFFFAOYSA-N
Canonic Smiles
CCC(c1nccs1)N.Cl.Cl
Isomeric Smiles
c1(nccs1)C(N)CC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5769072
LogD (pH = 7.4)
0.105086654
Log P
0.9222601
Molar Refractivity
38.0847
Polarizability
15.15427
Polar Surface Area
38.91
Rotatable Bonds
2
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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