Molecule

ID:30344

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c12-8-3-4-10(9(7-8)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2,(H,14,15)
InChIKey
TVZSCEWHFAKJOE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(=O)O)N1CCCC1
Isomeric Smiles
c1(c(N2CCCC2)ccc(c1)N)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8834338
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.22132991
LogD (pH = 7.4)
-0.71940136
Log P
0.23279573
Molar Refractivity
59.9842
Polarizability
21.581146
Polar Surface Area
66.56
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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