Molecule

ID:52002

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂OS
Molecular Mass
186.27456
Exact Mass
186.08268408
Charge
0
InChI
InChI=1S/C8H14N2OS/c12-8-9-2-1-3-10-4-6-11-7-5-10/h1-7H2
InChIKey
BCEFDMYFAAAFPE-UHFFFAOYSA-N
Canonic Smiles
S=C=NCCCN1CCOCC1
Isomeric Smiles
C(CCN1CCOCC1)N=C=S
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.502543
LogD (pH = 7.4)
0.8056623
Log P
0.92975384
Molar Refractivity
53.2881
Polarizability
20.830885
Polar Surface Area
24.83
Rotatable Bonds
4
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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