Molecule

ID:55124

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂Cl₂N₂S
Molecular Mass
215.14388
Exact Mass
214.00982475
Charge
0
InChI
InChI=1S/C6H10N2S.2ClH/c1-4(7)6-3-9-5(2)8-6;;/h3-4H,7H2,1-2H3;2*1H
InChIKey
NSIYHWIWQYUIEN-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)C(N)C.Cl.Cl
Isomeric Smiles
s1c(nc(c1)C(N)C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1956553
LogD (pH = 7.4)
-0.61692727
Log P
0.5311079
Molar Refractivity
38.1522
Polarizability
15.07118
Polar Surface Area
38.91
Rotatable Bonds
1
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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