Molecule

ID:83201

General Information
Structure
Molecular Formula
C₉H₈S
Molecular Mass
148.22482
Exact Mass
148.03467126
Charge
0
InChI
InChI=1S/C9H8S/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3
InChIKey
DOHZWDWNQFZIKH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)ccs2
Isomeric Smiles
s1c2c(cc(cc2)C)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.362692
LogD (pH = 7.4)
3.362692
Log P
3.362692
Molar Refractivity
44.4393
Polarizability
18.318628
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
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References
Bioactivity
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