Molecule

ID:59465

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂OS
Molecular Mass
220.29078
Exact Mass
220.06703401
Charge
0
InChI
InChI=1S/C11H12N2OS/c1-14-10-5-3-2-4-9(10)11-13-7-8(6-12)15-11/h2-5,7H,6,12H2,1H3
InChIKey
LUWOWBPYBZMJKV-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1ncc(s1)CN
Isomeric Smiles
c1(ncc(s1)CN)c1c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.87163883
LogD (pH = 7.4)
0.76855665
Log P
1.7573454
Molar Refractivity
71.0887
Polarizability
24.266754
Polar Surface Area
48.14
Rotatable Bonds
3
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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