Molecule

ID:31803

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂S
Molecular Mass
226.29536
Exact Mass
226.0775987
Charge
0
InChI
InChI=1S/C10H14N2O2S/c11-9-4-3-5-10(8-9)12-6-1-2-7-15(12,13)14/h3-5,8H,1-2,6-7,11H2
InChIKey
JTZFZDZLWRXIGV-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)N1CCCCS1(=O)=O
Isomeric Smiles
S1(=O)(=O)N(c2cc(N)ccc2)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.275936
LogD (pH = 7.4)
0.298822
Log P
0.2991218
Molar Refractivity
60.0031
Polarizability
23.425411
Polar Surface Area
63.4
Rotatable Bonds
1
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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