Molecule

ID:91403

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃O
Molecular Mass
209.28806
Exact Mass
209.15281224
Charge
0
InChI
InChI=1S/C11H19N3O/c1-9-11(10(2)13-12-9)3-4-14-5-7-15-8-6-14/h3-8H2,1-2H3,(H,12,13)
InChIKey
VIKAMQNWLXTIFK-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]nc(c1CCN1CCOCC1)C
Isomeric Smiles
N1(CCOCC1)CCc1c([nH]nc1C)C
Calculated Properties
JChem
Acid pKa
16.278553
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.840256
LogD (pH = 7.4)
0.48870593
Log P
0.6199188
Molar Refractivity
61.8588
Polarizability
23.120821
Polar Surface Area
41.15
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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