Molecule

ID:83550

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NS
Molecular Mass
221.36166
Exact Mass
221.12382061
Charge
0
InChI
InChI=1S/C13H19NS/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h10H,3-8H2,1-2H3
InChIKey
GXBQJLFQKPPSHC-UHFFFAOYSA-N
Canonic Smiles
S=C=NC12CC3CC(C2)(CC(C1)(C3)C)C
Isomeric Smiles
N(=C=S)C12CC3(C)CC(C1)CC(C2)(C3)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7611506
LogD (pH = 7.4)
3.7611506
Log P
3.7611506
Molar Refractivity
65.8961
Polarizability
26.386969
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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