Molecule

ID:55461

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀Cl₂N₄S
Molecular Mass
241.1414
Exact Mass
240.0003227
Charge
0
InChI
InChI=1S/C6H8N4S.2ClH/c1-4-9-10-3-5(2-7)8-6(10)11-4;;/h3H,2,7H2,1H3;2*1H
InChIKey
RJNDZLVXQPZHIW-UHFFFAOYSA-N
Canonic Smiles
NCc1nc2n(c1)nc(s2)C.Cl.Cl
Isomeric Smiles
c1(nn2c(s1)nc(c2)CN)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.497536
LogD (pH = 7.4)
-0.73801017
Log P
0.2382
Molar Refractivity
64.001
Polarizability
16.268963
Polar Surface Area
56.21
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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