Molecule

ID:15813

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆N₂O₄S
Molecular Mass
294.41084
Exact Mass
294.16132832
Charge
0
InChI
InChI=1S/C12H24N2.H2O4S/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;1-5(2,3)4/h11-12H,1-10,13H2;(H2,1,2,3,4)
InChIKey
LPMYLTOZKNPLRW-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.NC1CCCN(C1)CC1CCCCC1
Isomeric Smiles
C1C(CN(CC1)CC1CCCCC1)N.O=S(=O)(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0830154
LogD (pH = 7.4)
-0.81180525
Log P
1.9730334
Molar Refractivity
60.8941
Polarizability
24.457176
Polar Surface Area
29.26
Rotatable Bonds
2
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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