Molecule

ID:14875

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNOS
Molecular Mass
273.822
Exact Mass
273.09541295
Charge
0
InChI
InChI=1S/C13H19NOS.ClH/c1-16-13-6-4-11(5-7-13)9-14-10-12-3-2-8-15-12;/h4-7,12,14H,2-3,8-10H2,1H3;1H
InChIKey
WRUWUVFOZQSXHN-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1)CNCC1CCCO1.Cl
Isomeric Smiles
c1c(ccc(c1)CNCC1CCCO1)SC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5356881
LogD (pH = 7.4)
0.78038675
Log P
2.5784009
Molar Refractivity
70.3196
Polarizability
27.76138
Polar Surface Area
21.26
Rotatable Bonds
5
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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