Molecule

ID:89333

General Information
Structure
MolImage
Molecular Formula
C₈H₇NOS
Molecular Mass
165.21228
Exact Mass
165.02483485
Charge
0
InChI
InChI=1S/C8H7NOS/c11-8-5-10-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,11)
InChIKey
MFPHAWZIKUKQOU-UHFFFAOYSA-N
Canonic Smiles
S=C1COc2c(N1)cccc2
Isomeric Smiles
O1c2c(cccc2)NC(=S)C1
Calculated Properties
JChem
Acid pKa
9.998868
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6444705
LogD (pH = 7.4)
1.6434456
Log P
1.6444836
Molar Refractivity
48.816
Polarizability
18.533094
Polar Surface Area
21.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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