Molecule

ID:38265

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄Cl₂N₂S
Molecular Mass
241.18116
Exact Mass
240.02547482
Charge
0
InChI
InChI=1S/C8H12N2S.2ClH/c1-6-5-11-8(10-6)7-3-2-4-9-7;;/h5,7,9H,2-4H2,1H3;2*1H
InChIKey
TWKUEOAYARXXKL-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(n1)C1CCCN1.Cl.Cl
Isomeric Smiles
n1c(scc1C)C1NCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0225124
LogD (pH = 7.4)
-0.54663694
Log P
1.0126778
Molar Refractivity
45.7192
Polarizability
18.024302
Polar Surface Area
24.92
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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