Molecule

ID:75258

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄OS
Molecular Mass
230.32536
Exact Mass
230.07653607
Charge
0
InChI
InChI=1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
HTMQZWFSTJVJEQ-UHFFFAOYSA-N
Canonic Smiles
O=S(Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
S(=O)(Cc1ccccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
19.253204
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.345459
LogD (pH = 7.4)
2.345459
Log P
2.345459
Molar Refractivity
69.895
Polarizability
27.25483
Polar Surface Area
17.07
Rotatable Bonds
4
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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