Molecule

ID:24946

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)
InChIKey
NJRFVURYVWPLKB-UHFFFAOYSA-N
Canonic Smiles
NC(C12CC3CC(C2)CC(C1)C3)C(=O)O
Isomeric Smiles
C12(C(C(=O)O)N)CC3CC(C2)CC(C1)C3
Calculated Properties
JChem
Acid pKa
2.537604
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.77141345
LogD (pH = 7.4)
-0.7761775
Log P
-0.77128756
Molar Refractivity
55.9332
Polarizability
22.688913
Polar Surface Area
63.32
Rotatable Bonds
2
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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