Molecule

ID:77194

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O₃
Molecular Mass
306.39994
Exact Mass
306.1943427
Charge
0
InChI
InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-9-7-18(8-10-19)12-14-5-4-6-15(11-14)13-20/h4-6,11,20H,7-10,12-13H2,1-3H3
InChIKey
SVXAVOKCPICEEL-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)CN1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCN(Cc2cccc(c2)CO)CC1
Calculated Properties
JChem
Acid pKa
14.988761
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.693074
LogD (pH = 7.4)
1.8195604
Log P
1.8945575
Molar Refractivity
87.1671
Polarizability
33.893894
Polar Surface Area
53.01
Rotatable Bonds
5
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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