Molecule

ID:14772

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀ClNOS
Molecular Mass
249.8006
Exact Mass
249.09541295
Charge
0
InChI
InChI=1S/C11H19NOS.ClH/c1-3-13-7-4-6-12-9-11-10(2)5-8-14-11;/h5,8,12H,3-4,6-7,9H2,1-2H3;1H
InChIKey
YQFRIICTUHWHJY-UHFFFAOYSA-N
Canonic Smiles
CCOCCCNCc1sccc1C.Cl
Isomeric Smiles
c1c(c(sc1)CNCCCOCC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8403434
LogD (pH = 7.4)
0.27966848
Log P
2.3276896
Molar Refractivity
61.8946
Polarizability
23.999632
Polar Surface Area
21.26
Rotatable Bonds
7
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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