Molecule

ID:37527

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c14-11(15)12-5-1-2-10(12)7-13(8-12)6-9-3-4-9/h9-10H,1-8H2,(H,14,15)
InChIKey
JEJLOBFIYARNBY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C12CCCC2CN(C1)CC1CC1
Isomeric Smiles
C1CCC2C1(CN(C2)CC1CC1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.676
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0791489
LogD (pH = 7.4)
-1.0739396
Log P
-1.0739912
Molar Refractivity
57.3284
Polarizability
22.688913
Polar Surface Area
40.54
Rotatable Bonds
3
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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