Molecule

ID:37845

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅N₃O
Molecular Mass
227.3464
Exact Mass
227.19976244
Charge
0
InChI
InChI=1S/C12H25N3O/c1-14(12-2-4-13-5-3-12)6-7-15-8-10-16-11-9-15/h12-13H,2-11H2,1H3
InChIKey
QYKRHZNUFPPAIW-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCNCC1)CCN1CCOCC1
Isomeric Smiles
C1NCCC(C1)N(CCN1CCOCC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-5.874886
LogD (pH = 7.4)
-3.6480122
Log P
-0.36592826
Molar Refractivity
67.2381
Polarizability
26.648722
Polar Surface Area
27.74
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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