Molecule

ID:101503

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂S
Molecular Mass
190.2648
Exact Mass
190.05646933
Charge
0
InChI
InChI=1S/C10H10N2S/c1-7-12-10(6-13-7)8-4-2-3-5-9(8)11/h2-6H,11H2,1H3
InChIKey
AJFBHXXQTQAILP-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)c1ccccc1N
Isomeric Smiles
c1(nc(sc1)C)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9569142
LogD (pH = 7.4)
1.9592235
Log P
1.9592531
Molar Refractivity
55.1717
Polarizability
21.962822
Polar Surface Area
38.91
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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