Molecule

ID:16635

General Information
Structure
Molecular Formula
C₁₀H₁₂N₂S
Molecular Mass
192.28068
Exact Mass
192.07211939
Charge
0
InChI
InChI=1S/C10H12N2S/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,11H2,1-2H3
InChIKey
HWXYBXYFYWOVAS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)sc(n2)C(C)C
Isomeric Smiles
c12c(sc(n1)C(C)C)cc(cc2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6458013
LogD (pH = 7.4)
2.651065
Log P
2.6511326
Molar Refractivity
55.4712
Polarizability
22.197266
Polar Surface Area
38.91
Rotatable Bonds
1
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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