Molecule

ID:55564

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂NS
Molecular Mass
266.23038
Exact Mass
265.04587591
Charge
0
InChI
InChI=1S/C11H16ClNS.ClH/c12-10-5-4-9(14-10)11(8-13)6-2-1-3-7-11;/h4-5H,1-3,6-8,13H2;1H
InChIKey
WTNRNVYFSNPYPA-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCCC1)c1ccc(s1)Cl.Cl
Isomeric Smiles
c1(sc(cc1)Cl)C1(CN)CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7218988
LogD (pH = 7.4)
1.8272604
Log P
3.6835513
Molar Refractivity
61.0115
Polarizability
24.505816
Polar Surface Area
26.02
Rotatable Bonds
2
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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