Molecule

ID:41933

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c14-11(15)9-4-5-10(12-8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,14,15)
InChIKey
QLPWWMSKVYYSEY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(nc1)N1CCCCC1
Isomeric Smiles
c1(ncc(C(=O)O)cc1)N1CCCCC1
Calculated Properties
JChem
Acid pKa
1.9780576
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.25011337
LogD (pH = 7.4)
-0.7044348
Log P
0.30417264
Molar Refractivity
58.0414
Polarizability
21.390835
Polar Surface Area
53.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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