Molecule

ID:62945

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-16-10-4-8-14(16,13(17)18)7-2-5-12-6-3-9-15-11-12/h3,6,9,11H,2,4-5,7-8,10H2,1H3,(H,17,18)
InChIKey
KOBKRQZIIZGCBI-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC1(CCCc1cccnc1)C(=O)O
Isomeric Smiles
C1(N(CCC1)C)(C(=O)O)CCCc1cnccc1
Calculated Properties
JChem
Acid pKa
1.544075
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.8717029
LogD (pH = 7.4)
-0.6875531
Log P
-0.6860351
Molar Refractivity
69.7364
Polarizability
27.234793
Polar Surface Area
53.43
Rotatable Bonds
5
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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