Molecule

ID:86978

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NS
Molecular Mass
171.30298
Exact Mass
171.10817055
Charge
0
InChI
InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
InChIKey
YEZHGQZHWKJPCM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCN=C=S
Isomeric Smiles
S=C=NCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1718235
LogD (pH = 7.4)
4.1718235
Log P
4.1718235
Molar Refractivity
53.6067
Polarizability
21.22097
Polar Surface Area
12.36
Rotatable Bonds
7
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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