Molecule

ID:78354

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂S
Molecular Mass
152.25658
Exact Mass
152.06597138
Charge
0
InChI
InChI=1S/C9H12S/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
SNOAHAUUBQMVGW-UHFFFAOYSA-N
Canonic Smiles
CC(Sc1ccccc1)C
Isomeric Smiles
S(c1ccccc1)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.16729
LogD (pH = 7.4)
3.16729
Log P
3.16729
Molar Refractivity
48.0827
Polarizability
18.949615
Polar Surface Area
0.0
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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