Molecule

ID:90867

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c14-11(15)10-8-9(4-5-12-10)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,14,15)
InChIKey
SKWHGCFXCHSXOF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nccc(c1)N1CCCCC1
Isomeric Smiles
n1c(cc(cc1)N1CCCCC1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.1924217
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.07746371
LogD (pH = 7.4)
0.061407287
Log P
0.076915644
Molar Refractivity
57.3559
Polarizability
21.393196
Polar Surface Area
53.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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