Molecule

ID:55924

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O₂
Molecular Mass
278.38984
Exact Mass
278.19942808
Charge
0
InChI
InChI=1S/C16H26N2O2/c1-15(2,3)11-16(4,5)12-6-8-13(9-7-12)20-10-14(19)18-17/h6-9H,10-11,17H2,1-5H3,(H,18,19)
InChIKey
YSBVKXXYINFPMC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1ccc(cc1)C(CC(C)(C)C)(C)C
Isomeric Smiles
C(c1ccc(OCC(=O)NN)cc1)(CC(C)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
12.401467
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.2099814
LogD (pH = 7.4)
3.2113776
Log P
3.2113993
Molar Refractivity
81.8037
Polarizability
31.975801
Polar Surface Area
64.35
Rotatable Bonds
6
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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