Molecule

ID:56010

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-10-6-7-12-4-3-5-13(14(12)16-10)18-9-8-15-11(2)17/h3-5,10,16H,6-9H2,1-2H3,(H,15,17)
InChIKey
YAPLYUNTJZCMIS-UHFFFAOYSA-N
Canonic Smiles
CC1CCc2c(N1)c(OCCNC(=O)C)ccc2
Isomeric Smiles
N1c2c(CCC1C)cccc2OCCNC(=O)C
Calculated Properties
JChem
Acid pKa
15.8776045
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0214252
LogD (pH = 7.4)
1.2082564
Log P
1.2112477
Molar Refractivity
72.438
Polarizability
27.279346
Polar Surface Area
50.36
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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