Molecule

ID:30980

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₂
Molecular Mass
224.2994
Exact Mass
224.15247789
Charge
0
InChI
InChI=1S/C12H20N2O2/c1-8-6-14(7-11(16)5-13-4)9(2)12(8)10(3)15/h6,11,13,16H,5,7H2,1-4H3
InChIKey
CCGSLTJKGBDFTP-UHFFFAOYSA-N
Canonic Smiles
CNCC(Cn1cc(c(c1C)C(=O)C)C)O
Isomeric Smiles
n1(c(c(c(c1)C)C(=O)C)C)CC(O)CNC
Calculated Properties
JChem
Acid pKa
14.424738
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.640473
LogD (pH = 7.4)
-1.6720239
Log P
0.5526979
Molar Refractivity
64.9941
Polarizability
24.734999
Polar Surface Area
54.26
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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