Molecule

ID:52197

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂S
Molecular Mass
194.29656
Exact Mass
194.08776946
Charge
0
InChI
InChI=1S/C10H14N2S/c11-10(13)12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,11,12,13)
InChIKey
AGWZOAHAJCELJQ-UHFFFAOYSA-N
Canonic Smiles
NC(=S)NCCCc1ccccc1
Isomeric Smiles
N(C(=S)N)CCCc1ccccc1
Calculated Properties
JChem
Acid pKa
13.191681
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
2.207414
LogD (pH = 7.4)
2.2074132
Log P
2.2074149
Molar Refractivity
59.9988
Polarizability
23.441038
Polar Surface Area
38.05
Rotatable Bonds
4
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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