Molecule

ID:17219

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c14-11(15)9-4-5-12-10(8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,14,15)
InChIKey
PYHYIVXTQSCHDX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccnc(c1)N1CCCCC1
Isomeric Smiles
c1(N2CCCCC2)cc(C(=O)O)ccn1
Calculated Properties
JChem
Acid pKa
0.8917617
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.26721346
LogD (pH = 7.4)
-0.122008964
Log P
0.27543023
Molar Refractivity
58.0414
Polarizability
21.391739
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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