Molecule

ID:19346

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂S
Molecular Mass
196.31244
Exact Mass
196.10341952
Charge
0
InChI
InChI=1S/C10H16N2S/c11-8-9(10-4-3-7-13-10)12-5-1-2-6-12/h3-4,7,9H,1-2,5-6,8,11H2
InChIKey
HZLMJMYZCMEADV-UHFFFAOYSA-N
Canonic Smiles
NCC(c1cccs1)N1CCCC1
Isomeric Smiles
c1(C(N2CCCC2)CN)sccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8654993
LogD (pH = 7.4)
-0.5826369
Log P
1.4961047
Molar Refractivity
56.6516
Polarizability
22.350054
Polar Surface Area
29.26
Rotatable Bonds
3
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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