Molecule

ID:17229

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)8-2-4-9(11)5-3-8/h2-6H,11H2,1H3
InChIKey
JCRKEVDAEUPNAA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1csc(n1)C
Isomeric Smiles
c1(c2nc(sc2)C)ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.954741
LogD (pH = 7.4)
1.959196
Log P
1.9592531
Molar Refractivity
55.1717
Polarizability
21.957647
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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