Molecule

ID:90135

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-15-11(14)9-4-5-10(12-8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKey
OWOKTZZFJFFUKY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(nc1)N1CCCC1
Isomeric Smiles
n1cc(ccc1N1CCCC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8251907
LogD (pH = 7.4)
1.8667903
Log P
1.8673493
Molar Refractivity
58.2095
Polarizability
21.638302
Polar Surface Area
42.43
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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