Molecule

ID:58170

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅N₃O₂
Molecular Mass
279.3779
Exact Mass
279.19467706
Charge
0
InChI
InChI=1S/C15H25N3O2/c1-12-9-16-18(10-12)11-13-5-7-17(8-6-13)14(19)20-15(2,3)4/h9-10,13H,5-8,11H2,1-4H3
InChIKey
YMPQSLZUBUVEKD-UHFFFAOYSA-N
Canonic Smiles
Cc1cnn(c1)CC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(CCC1Cn1ncc(c1)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3019557
LogD (pH = 7.4)
2.3020778
Log P
2.3020792
Molar Refractivity
89.9721
Polarizability
30.257969
Polar Surface Area
47.36
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
No Data Available
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Molecule Details
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References
Bioactivity
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