Molecule

ID:121249

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₄O
Molecular Mass
248.3241
Exact Mass
248.16371128
Charge
0
InChI
InChI=1S/C13H20N4O/c1-16-5-7-17(8-6-16)10-13(18)15-12-4-2-3-11(14)9-12/h2-4,9H,5-8,10,14H2,1H3,(H,15,18)
InChIKey
ZOMZBQJQEOXWSU-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CC(=O)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)CN1CCN(CC1)C
Calculated Properties
JChem
Acid pKa
13.437044
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.9952738
LogD (pH = 7.4)
-0.3024031
Log P
0.120648295
Molar Refractivity
75.1005
Polarizability
27.879686
Polar Surface Area
61.6
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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