Molecule

ID:70072

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂S
Molecular Mass
212.31008
Exact Mass
212.06597138
Charge
0
InChI
InChI=1S/C14H12S/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11/h3-8H,1-2H3
InChIKey
MYAQZIAVOLKEGW-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1sc1c2cccc1C
Isomeric Smiles
c12c(c3c(s1)c(ccc3)C)cccc2C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9716964
LogD (pH = 7.4)
4.9716964
Log P
4.9716964
Molar Refractivity
65.7148
Polarizability
27.736542
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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