Molecule

ID:37923

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NS
Molecular Mass
195.32438
Exact Mass
195.10817055
Charge
0
InChI
InChI=1S/C11H17NS/c1-9-6-7-11(13-9)10-5-3-2-4-8-12-10/h6-7,10,12H,2-5,8H2,1H3
InChIKey
HTNOJSJPYSIFDC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)C1CCCCCN1
Isomeric Smiles
c1(sc(cc1)C)C1NCCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.24824587
LogD (pH = 7.4)
1.188698
Log P
3.4450388
Molar Refractivity
57.6654
Polarizability
22.587208
Polar Surface Area
12.03
Rotatable Bonds
1
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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