Molecule

ID:10211

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂S
Molecular Mass
280.3858
Exact Mass
280.12454889
Charge
0
InChI
InChI=1S/C14H20N2O2S/c17-19(18,14-4-2-1-3-5-14)16(12-6-7-12)13-8-10-15-11-9-13/h1-5,12-13,15H,6-11H2
InChIKey
GADOCUCQRAEUHG-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(N(C1CC1)C1CCNCC1)c1ccccc1
Isomeric Smiles
c1cccc(c1)S(=O)(=O)N(C1CCNCC1)C1CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0840776
LogD (pH = 7.4)
-1.3971035
Log P
1.1359514
Molar Refractivity
75.3769
Polarizability
30.401262
Polar Surface Area
49.41
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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