Molecule

ID:76238

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNOS
Molecular Mass
245.76884
Exact Mass
245.06411282
Charge
0
InChI
InChI=1S/C11H15NOS.ClH/c1-13-10-4-2-9(3-5-10)11-8-12-6-7-14-11;/h2-5,11-12H,6-8H2,1H3;1H
InChIKey
YUQRBYYFAVZPAO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1SCCNC1.Cl
Isomeric Smiles
S1C(c2ccc(cc2)OC)CNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2929298
LogD (pH = 7.4)
0.13862953
Log P
1.769025
Molar Refractivity
60.7717
Polarizability
24.077763
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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