Molecule

ID:8553

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂S
Molecular Mass
172.29104
Exact Mass
172.10341952
Charge
0
InChI
InChI=1S/C8H16N2S/c1-3-10(4-2)7-5-6-9-8-11/h3-7H2,1-2H3
InChIKey
QPBVKSLJBRCKIF-UHFFFAOYSA-N
Canonic Smiles
S=C=NCCCN(CC)CC
Isomeric Smiles
C(=S)=NCCCN(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.607564
LogD (pH = 7.4)
-0.7910651
Log P
1.8618702
Molar Refractivity
53.7108
Polarizability
20.893452
Polar Surface Area
15.6
Rotatable Bonds
6
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
References
Bioactivity
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