Molecule

ID:32162

General Information
Structure
Molecular Formula
C₈H₉NS
Molecular Mass
151.22876
Exact Mass
151.04557029
Charge
0
InChI
InChI=1S/C8H9NS/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
NUFFXGAGGYWFAV-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C(=S)N
Isomeric Smiles
c1(cccc(c1)C)C(=S)N
Calculated Properties
JChem
Acid pKa
12.742453
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.2271771
LogD (pH = 7.4)
2.2271788
Log P
2.2271771
Molar Refractivity
48.1685
Polarizability
18.34035
Polar Surface Area
26.02
Rotatable Bonds
1
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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