Molecule

ID:118791

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂S
Molecular Mass
182.28586
Exact Mass
182.08776946
Charge
0
InChI
InChI=1S/C9H14N2S/c1-6-12-8-9(1)7-11-4-2-10-3-5-11/h1,6,8,10H,2-5,7H2
InChIKey
DCEFDTKYYGMWMX-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)Cc1cscc1
Isomeric Smiles
c1(cscc1)CN1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0288053
LogD (pH = 7.4)
-0.69311404
Log P
1.1591562
Molar Refractivity
52.4619
Polarizability
20.504398
Polar Surface Area
15.27
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
No Data Available
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Molecule Details
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References
Bioactivity
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