Molecule

ID:27292

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂OS
Molecular Mass
170.2321
Exact Mass
170.05138395
Charge
0
InChI
InChI=1S/C7H10N2OS/c1-2-5-3-4-6(11-5)7(10)9-8/h3-4H,2,8H2,1H3,(H,9,10)
InChIKey
VCNHIBSLOGNADX-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(s1)C(=O)NN
Isomeric Smiles
c1(sc(cc1)CC)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.955557
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.530072
LogD (pH = 7.4)
1.530713
Log P
1.5307213
Molar Refractivity
46.0907
Polarizability
16.894394
Polar Surface Area
55.12
Rotatable Bonds
2
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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