Molecule

ID:55634

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆Cl₂N₂OS
Molecular Mass
271.20714
Exact Mass
270.0360395
Charge
0
InChI
InChI=1S/C9H14N2OS.2ClH/c1-2-8(12-4-1)6-10-7-9-11-3-5-13-9;;/h3,5,8,10H,1-2,4,6-7H2;2*1H
InChIKey
WZKUYCJXJXMCCP-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCc1nccs1.Cl.Cl
Isomeric Smiles
n1c(scc1)CNCC1OCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3396231
LogD (pH = 7.4)
0.30316573
Log P
0.6821429
Molar Refractivity
52.0961
Polarizability
20.656483
Polar Surface Area
34.15
Rotatable Bonds
4
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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