Molecule

ID:50875

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Cl₂N₂S
Molecular Mass
237.1494
Exact Mass
235.99417469
Charge
0
InChI
InChI=1S/C8H8N2S.2ClH/c1-5-10-7-3-2-6(9)4-8(7)11-5;;/h2-4H,9H2,1H3;2*1H
InChIKey
OAFPZCQQMXYSFX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)sc(n2)C.Cl.Cl
Isomeric Smiles
n1c(sc2c1ccc(c2)N)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4001501
LogD (pH = 7.4)
1.4075158
Log P
1.4076105
Molar Refractivity
46.2698
Polarizability
18.506306
Polar Surface Area
38.91
Rotatable Bonds
0
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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