Molecule

ID:52215

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂S
Molecular Mass
190.2648
Exact Mass
190.05646933
Charge
0
InChI
InChI=1S/C10H10N2S/c1-8-3-2-4-9(7-8)12-6-5-11-10(12)13/h2-5,7H,6H2,1H3
InChIKey
DRJZZTUXKDSQRG-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)N1CC=NC1=S
Isomeric Smiles
C1(=S)N=CCN1c1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
14.659358
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0435896
LogD (pH = 7.4)
2.0435896
Log P
2.0435896
Molar Refractivity
57.862
Polarizability
22.223166
Polar Surface Area
15.6
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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