Molecule
ID:57805
General Information
Molecular Formula
C₁₀H₁₄N₂OS
Molecular Mass
210.29596
Exact Mass
210.08268408
Charge
0
InChI
InChI=1S/C10H14N2OS/c1-12-10(13)8-6-4-2-3-5-7(6)14-9(8)11/h2-5,11H2,1H3,(H,12,13)
InChIKey
GZPPSXCHBNAOKH-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1c(N)sc2c1CCCC2
Isomeric Smiles
c1(c(sc2c1CCCC2)N)C(=O)NC
Calculated Properties
JChem
Acid pKa
15.73793
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3997676
LogD (pH = 7.4)
2.3997679
Log P
2.3997679
Molar Refractivity
58.4195
Polarizability
21.305311
Polar Surface Area
55.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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