Molecule

ID:116952

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂S
Molecular Mass
196.31244
Exact Mass
196.10341952
Charge
0
InChI
InChI=1S/C10H16N2S/c1-2-12-6-5-11-9(8-12)10-4-3-7-13-10/h3-4,7,9,11H,2,5-6,8H2,1H3
InChIKey
VPGQBHKVMNMYDZ-UHFFFAOYSA-N
Canonic Smiles
CCN1CCNC(C1)c1cccs1
Isomeric Smiles
C1(c2sccc2)NCCN(C1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3007348
LogD (pH = 7.4)
0.36786246
Log P
1.7081707
Molar Refractivity
56.6648
Polarizability
22.35006
Polar Surface Area
15.27
Rotatable Bonds
2
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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