Molecule

ID:26775

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂S
Molecular Mass
282.40168
Exact Mass
282.14019895
Charge
0
InChI
InChI=1S/C14H22N2O2S/c1-2-3-4-13-5-7-14(8-6-13)19(17,18)16-11-9-15-10-12-16/h5-8,15H,2-4,9-12H2,1H3
InChIKey
IPZZHANOMZLYJA-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)S(=O)(=O)N1CCNCC1
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)c1ccc(cc1)CCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.67618304
LogD (pH = 7.4)
2.139237
Log P
2.3378277
Molar Refractivity
77.6089
Polarizability
31.049974
Polar Surface Area
49.41
Rotatable Bonds
4
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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