Molecule

ID:18704

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂OS
Molecular Mass
196.26938
Exact Mass
196.06703401
Charge
0
InChI
InChI=1S/C9H12N2OS/c12-7-8-6-10-9(13-8)11-4-2-1-3-5-11/h6-7H,1-5H2
InChIKey
NWOAHSDBLWFXAG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(s1)N1CCCCC1
Isomeric Smiles
c1(ncc(s1)C=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1195817
LogD (pH = 7.4)
2.1196396
Log P
2.1196404
Molar Refractivity
53.6784
Polarizability
19.662827
Polar Surface Area
33.2
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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