Molecule

ID:46030

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-8(14)13-9-3-2-4-10(5-9)15-11-6-12-7-11/h2-5,11-12H,6-7H2,1H3,(H,13,14)
InChIKey
HSDWJNPWRVJXJF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)OC1CNC1
Isomeric Smiles
N1CC(Oc2cc(NC(=O)C)ccc2)C1
Calculated Properties
JChem
Acid pKa
13.940467
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.268663
LogD (pH = 7.4)
-0.615913
Log P
0.57712364
Molar Refractivity
57.8098
Polarizability
22.206753
Polar Surface Area
50.36
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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