Molecule

ID:35799

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂S
Molecular Mass
156.24858
Exact Mass
156.07211939
Charge
0
InChI
InChI=1S/C7H12N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)
InChIKey
INYFNNKRGLROQV-UHFFFAOYSA-N
Canonic Smiles
S=C1NC2C(N1)CCCC2
Isomeric Smiles
C1(=S)NC2C(N1)CCCC2
Calculated Properties
JChem
Acid pKa
14.18407
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
1.2163318
LogD (pH = 7.4)
1.2163318
Log P
1.2163318
Molar Refractivity
45.0413
Polarizability
17.876339
Polar Surface Area
24.06
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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