Molecule

ID:24829

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c14-11(15)9-4-3-7-13(8-9)10-5-1-2-6-12-10/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)
InChIKey
QZQCXIGVFAOJNE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)c1ccccn1
Isomeric Smiles
N1(CC(C(=O)O)CCC1)c1ncccc1
Calculated Properties
JChem
Acid pKa
4.1917157
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.04084791
LogD (pH = 7.4)
-0.87275535
Log P
0.08299694
Molar Refractivity
56.8711
Polarizability
21.417297
Polar Surface Area
53.43
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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