Molecule

ID:27381

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂OS
Molecular Mass
210.29596
Exact Mass
210.08268408
Charge
0
InChI
InChI=1S/C10H14N2OS/c1-6-2-3-7-5-9(10(13)12-11)14-8(7)4-6/h5-6H,2-4,11H2,1H3,(H,12,13)
InChIKey
XVDAMHAXHYXHHW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc2c(s1)CC(CC2)C
Isomeric Smiles
c1(sc2c(c1)CCC(C2)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.074549
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3113563
LogD (pH = 7.4)
2.3119962
Log P
2.3120046
Molar Refractivity
58.4793
Polarizability
21.592747
Polar Surface Area
55.12
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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