Molecule

ID:51341

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O₂S
Molecular Mass
284.41756
Exact Mass
284.15584902
Charge
0
InChI
InChI=1S/C14H24N2O2S/c17-13(18)12-10-19-14(15-12)6-8-16(9-7-14)11-4-2-1-3-5-11/h11-12,15H,1-10H2,(H,17,18)
InChIKey
ZMVZAGANEFRPDA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CSC2(N1)CCN(CC2)C1CCCCC1
Isomeric Smiles
C12(NC(C(=O)O)CS1)CCN(CC2)C1CCCCC1
Calculated Properties
JChem
Acid pKa
3.1114097
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0334119
LogD (pH = 7.4)
-0.20419116
Log P
-0.19533417
Molar Refractivity
76.6409
Polarizability
30.9665
Polar Surface Area
52.57
Rotatable Bonds
2
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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