Molecule

ID:34233

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Cl₂N₃S
Molecular Mass
244.1851
Exact Mass
243.03637386
Charge
0
InChI
InChI=1S/C7H13N3S.2ClH/c1-10(2)4-7-9-6(3-8)5-11-7;;/h5H,3-4,8H2,1-2H3;2*1H
InChIKey
YTFQVKPKAXWKTQ-UHFFFAOYSA-N
Canonic Smiles
NCc1csc(n1)CN(C)C.Cl.Cl
Isomeric Smiles
n1c(scc1CN)CN(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.012941
LogD (pH = 7.4)
-1.1217482
Log P
-0.14615786
Molar Refractivity
47.0873
Polarizability
18.519064
Polar Surface Area
42.15
Rotatable Bonds
3
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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