Molecule

ID:118438

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NS
Molecular Mass
195.32438
Exact Mass
195.10817055
Charge
0
InChI
InChI=1S/C11H17NS/c12-9-11(6-2-1-3-7-11)10-5-4-8-13-10/h4-5,8H,1-3,6-7,9,12H2
InChIKey
QVLGCILLMAUJBI-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCCC1)c1cccs1
Isomeric Smiles
c1(C2(CN)CCCCC2)sccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.050567362
LogD (pH = 7.4)
1.042269
Log P
2.9135106
Molar Refractivity
57.0468
Polarizability
22.587923
Polar Surface Area
26.02
Rotatable Bonds
2
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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