Molecule

ID:81045

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄S
Molecular Mass
154.27246
Exact Mass
154.08162145
Charge
0
InChI
InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKey
NOYVOSGVFSEKPR-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1cccs1
Isomeric Smiles
s1c(ccc1)CCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.177823
LogD (pH = 7.4)
4.177823
Log P
4.177823
Molar Refractivity
46.5471
Polarizability
18.109005
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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