Molecule
ID:40673
General Information
Molecular Formula
C₈H₇NS
Molecular Mass
149.21288
Exact Mass
149.02992023
Charge
0
InChI
InChI=1S/C8H7NS/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H
InChIKey
LYFRUBQVZGVXPR-UHFFFAOYSA-N
Canonic Smiles
Sc1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1cc(c2c1cccc2)S
Calculated Properties
JChem
Acid pKa
6.6595354
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
2.1372585
LogD (pH = 7.4)
1.4336239
Log P
2.165215
Molar Refractivity
45.1543
Polarizability
18.665648
Polar Surface Area
15.79
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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