Molecule

ID:57499

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂S
Molecular Mass
156.24858
Exact Mass
156.07211939
Charge
0
InChI
InChI=1S/C7H12N2S/c1-3-6-7(4-8)10-5(2)9-6/h3-4,8H2,1-2H3
InChIKey
NARMNKOZSKVGAW-UHFFFAOYSA-N
Canonic Smiles
CCc1nc(sc1CN)C
Isomeric Smiles
s1c(c(nc1C)CC)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9614203
LogD (pH = 7.4)
-0.46487787
Log P
0.8452172
Molar Refractivity
43.183
Polarizability
16.828156
Polar Surface Area
38.91
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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