Molecule

ID:27384

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂OS
Molecular Mass
210.29596
Exact Mass
210.08268408
Charge
0
InChI
InChI=1S/C10H14N2OS/c11-12-10(13)9-6-7-4-2-1-3-5-8(7)14-9/h6H,1-5,11H2,(H,12,13)
InChIKey
APDQSPXWVVODJE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc2c(s1)CCCCC2
Isomeric Smiles
c1(sc2c(c1)CCCCC2)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.085715
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.468905
LogD (pH = 7.4)
2.4695458
Log P
2.4695542
Molar Refractivity
58.5317
Polarizability
21.592752
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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