Molecule

ID:60624

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃O₂
Molecular Mass
263.33544
Exact Mass
263.16337693
Charge
0
InChI
InChI=1S/C14H21N3O2/c1-10-15-8-7-11(16-10)12-6-5-9-17(12)13(18)19-14(2,3)4/h7-8,12H,5-6,9H2,1-4H3
InChIKey
RIFFGDVFKKEDLH-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1c1ccnc(n1)C)OC(C)(C)C
Isomeric Smiles
C1CCC(N1C(=O)OC(C)(C)C)c1ccnc(n1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0309553
LogD (pH = 7.4)
2.031197
Log P
2.0312002
Molar Refractivity
72.3539
Polarizability
28.058926
Polar Surface Area
55.32
Rotatable Bonds
3
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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