Molecule

ID:41985

General Information
Structure
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c14-11(15)9-5-4-6-12-10(9)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H,14,15)
InChIKey
YNZJJMDTAFCBGO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccnc1N1CCCCC1
Isomeric Smiles
c1(c(C(=O)O)cccn1)N1CCCCC1
Calculated Properties
JChem
Acid pKa
2.4452803
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.29855096
LogD (pH = 7.4)
-0.53170496
Log P
0.32328185
Molar Refractivity
58.0414
Polarizability
21.392643
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
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Molecule Details
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References
Bioactivity
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