Molecule
ID:123588
General Information
Molecular Formula
C₁₃H₁₉N₃O₂
Molecular Mass
249.30886
Exact Mass
249.14772686
Charge
0
InChI
InChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)13(17)10-18-12-4-2-11(14)3-5-12/h2-5H,6-10,14H2,1H3
InChIKey
IKTPGVJDWUQQEL-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)COc1ccc(cc1)N
Isomeric Smiles
N1(C(=O)COc2ccc(N)cc2)CCN(CC1)C
Calculated Properties
JChem
Acid pKa
16.563084
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.56657
LogD (pH = 7.4)
-0.16970202
Log P
-0.047838997
Molar Refractivity
70.9719
Polarizability
27.043676
Polar Surface Area
58.8
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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