Molecule

ID:129902

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O₄S
Molecular Mass
328.42706
Exact Mass
328.14567826
Charge
0
InChI
InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
InChIKey
JTVPZMFULRWINT-UHFFFAOYSA-N
Canonic Smiles
CCN(CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C)CC
Isomeric Smiles
O=S(=O)(c1ccc(OC)c(C(=O)NCCN(CC)CC)c1)C
Calculated Properties
JChem
Acid pKa
13.231915
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.6663113
LogD (pH = 7.4)
0.022533497
Log P
0.4624599
Molar Refractivity
88.0162
Polarizability
34.26105
Polar Surface Area
75.71
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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