Molecule

ID:130318

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀S
Molecular Mass
198.2835
Exact Mass
198.05032132
Charge
0
InChI
InChI=1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
InChIKey
PQJUJGAVDBINPI-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)Sc1c(C2)cccc1
Isomeric Smiles
S1c2ccccc2Cc2c1cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
4.28
LogD (pH = 5.5)
4.28
Log P
4.28
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
22.23
Molar Refractivity
62.42
LOG S
-3.87
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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