Molecule

ID:58164

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₃
Molecular Mass
292.37336
Exact Mass
292.17869264
Charge
0
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-9-7-17(8-10-18)12-13-5-4-6-14(19)11-13/h4-6,11,19H,7-10,12H2,1-3H3
InChIKey
MMDYGRXGSLIGAG-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)CN1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1N(CCN(C1)C(=O)OC(C)(C)C)Cc1cc(ccc1)O
Calculated Properties
JChem
Acid pKa
9.416575
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.503606
LogD (pH = 7.4)
2.3216112
Log P
2.358342
Molar Refractivity
82.3321
Polarizability
32.044373
Polar Surface Area
53.01
Rotatable Bonds
4
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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