Molecule

ID:75425

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀S
Molecular Mass
138.23
Exact Mass
138.05032132
Charge
0
InChI
InChI=1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChIKey
IDKCKPBAFOIONK-UHFFFAOYSA-N
Canonic Smiles
Sc1ccc(c(c1)C)C
Isomeric Smiles
Sc1ccc(c(c1)C)C
Calculated Properties
JChem
Acid pKa
6.869808
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.0758402
LogD (pH = 7.4)
2.502778
Log P
3.0932958
Molar Refractivity
44.1502
Polarizability
16.935535
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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