Molecule

ID:16681

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂S
Molecular Mass
282.40168
Exact Mass
282.14019895
Charge
0
InChI
InChI=1S/C14H22N2O2S/c1-12-4-2-3-11-16(12)19(17,18)14-7-5-13(6-8-14)9-10-15/h5-8,12H,2-4,9-11,15H2,1H3
InChIKey
AKNMFKYHSBWRLH-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)S(=O)(=O)N1CCCCC1C
Isomeric Smiles
N1(S(=O)(=O)c2ccc(cc2)CCN)C(CCCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2971436
LogD (pH = 7.4)
-0.52858496
Log P
1.7079995
Molar Refractivity
77.7985
Polarizability
31.0492
Polar Surface Area
63.4
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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