Molecule

ID:37127

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂S
Molecular Mass
196.31244
Exact Mass
196.10341952
Charge
0
InChI
InChI=1S/C10H16N2S/c11-9-3-5-12(6-4-9)8-10-2-1-7-13-10/h1-2,7,9H,3-6,8,11H2
InChIKey
NQQVCDIEQDMPOD-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1cccs1
Isomeric Smiles
N1(Cc2sccc2)CCC(CC1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.375049
LogD (pH = 7.4)
-2.309503
Log P
1.0387018
Molar Refractivity
56.8724
Polarizability
22.350176
Polar Surface Area
29.26
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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