Molecule

ID:55222

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅Cl₂N₃OS
Molecular Mass
272.1952
Exact Mass
271.03128848
Charge
0
InChI
InChI=1S/C8H13N3OS.2ClH/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11;;/h6H,1-5,9H2;2*1H
InChIKey
CBHLSKSCHDWBOK-UHFFFAOYSA-N
Canonic Smiles
NCc1csc(n1)N1CCOCC1.Cl.Cl
Isomeric Smiles
c1(nc(cs1)CN)N1CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.2012832
LogD (pH = 7.4)
-0.5544875
Log P
0.41307235
Molar Refractivity
52.194
Polarizability
19.970785
Polar Surface Area
51.38
Rotatable Bonds
2
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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