Molecule

ID:101326

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃O₃
Molecular Mass
293.36142
Exact Mass
293.17394161
Charge
0
InChI
InChI=1S/C15H23N3O3/c1-15(2,3)21-14(20)18-8-6-17(7-9-18)13-10-12(11-19)4-5-16-13/h4-5,10,19H,6-9,11H2,1-3H3
InChIKey
IIVNGRBJSABOQV-UHFFFAOYSA-N
Canonic Smiles
OCc1ccnc(c1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCN(c2nccc(c2)CO)CC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.898084
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6656148
LogD (pH = 7.4)
1.4070053
Log P
1.4379897
Molar Refractivity
81.2096
Polarizability
30.7955
Polar Surface Area
65.9
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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