Molecule

ID:116418

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-15-10-4-2-9(3-5-10)13-7-8(12)6-11(13)14/h2-5,8H,6-7,12H2,1H3
InChIKey
RBYDZOXISZMHMJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N1CC(CC1=O)N
Isomeric Smiles
N1(C(=O)CC(C1)N)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
19.054207
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8025131
LogD (pH = 7.4)
-1.5360937
Log P
0.118476
Molar Refractivity
56.2604
Polarizability
22.205406
Polar Surface Area
55.56
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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