Molecule

ID:103968

General Information
Structure
MolImage
Molecular Formula
C₆H₁₇Cl₂N₃S
Molecular Mass
234.19028
Exact Mass
233.05202392
Charge
0
InChI
InChI=1S/C6H15N3S.2ClH/c1-9(2)4-3-5-10-6(7)8;;/h3-5H2,1-2H3,(H3,7,8);2*1H
InChIKey
DFWCPLGXFMSUCW-UHFFFAOYSA-N
Canonic Smiles
CN(CCCSC(=N)N)C.Cl.Cl
Isomeric Smiles
Cl.Cl.CN(C)CCCSC(=N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.8954315
LogD (pH = 7.4)
-3.0763183
Log P
0.3882868
Molar Refractivity
57.913
Polarizability
18.255253
Polar Surface Area
53.11
Rotatable Bonds
5
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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