Molecule
ID:76204
General Information
Molecular Formula
C₁₉H₂₆N₂O₄
Molecular Mass
346.42074
Exact Mass
346.18925732
Charge
0
InChI
InChI=1S/C19H26N2O4/c1-19(2,3)25-18(24)21-13-11-20(12-14-21)16(17(22)23)10-9-15-7-5-4-6-8-15/h4-10,16H,11-14H2,1-3H3,(H,22,23)
InChIKey
SJGWOAUBXYMANH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(N1CCN(CC1)C(=O)OC(C)(C)C)/C=C/c1ccccc1
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCN(CC1)C(/C=C/c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
1.2537464
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.31519356
LogD (pH = 7.4)
-0.0015169891
Log P
0.32148296
Molar Refractivity
96.4997
Polarizability
37.316536
Polar Surface Area
70.08
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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