Molecule

ID:48530

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃O
Molecular Mass
221.29876
Exact Mass
221.15281224
Charge
0
InChI
InChI=1S/C12H19N3O/c1-15(9-10-4-7-16-8-5-10)12-11(13)3-2-6-14-12/h2-3,6,10H,4-5,7-9,13H2,1H3
InChIKey
YKFGPCGVUIUMHZ-UHFFFAOYSA-N
Canonic Smiles
CN(c1ncccc1N)CC1CCOCC1
Isomeric Smiles
c1(N(CC2CCOCC2)C)ncccc1N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.17467685
LogD (pH = 7.4)
0.899864
Log P
1.0509356
Molar Refractivity
66.6371
Polarizability
24.562944
Polar Surface Area
51.38
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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