Molecule

ID:34554

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅N₃O₂S
Molecular Mass
275.4108
Exact Mass
275.16674806
Charge
0
InChI
InChI=1S/C12H25N3O2S/c1-14(2)18(16,17)15-9-5-12(6-10-15)11-3-7-13-8-4-11/h11-13H,3-10H2,1-2H3
InChIKey
JYTHYCMPNRDNOL-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)N1CCC(CC1)C1CCNCC1)C
Isomeric Smiles
N(S(=O)(=O)N1CCC(C2CCNCC2)CC1)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.599141
LogD (pH = 7.4)
-3.14229
Log P
-0.3675709
Molar Refractivity
73.4988
Polarizability
29.748266
Polar Surface Area
52.65
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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