Molecule

ID:55434

General Information
Structure
Molecular Formula
C₇H₁₈Cl₂N₂S
Molecular Mass
233.20222
Exact Mass
232.05677495
Charge
0
InChI
InChI=1S/C7H16N2S.2ClH/c1-10-7-6-9-4-2-8-3-5-9;;/h8H,2-7H2,1H3;2*1H
InChIKey
LQFKCMRDUICDNN-UHFFFAOYSA-N
Canonic Smiles
CSCCN1CCNCC1.Cl.Cl
Isomeric Smiles
CSCCN1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8696218
LogD (pH = 7.4)
-1.5132955
Log P
0.44661024
Molar Refractivity
47.8694
Polarizability
19.01616
Polar Surface Area
15.27
Rotatable Bonds
3
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
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References
Bioactivity
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