Molecule

ID:78737

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₃
Molecular Mass
224.25634
Exact Mass
224.11609238
Charge
0
InChI
InChI=1S/C11H16N2O3/c1-2-16-10(14)4-3-7-5-8(12)11(15)9(13)6-7/h5-6,15H,2-4,12-13H2,1H3
InChIKey
GHERLYBMMPYHNV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCc1cc(N)c(c(c1)N)O
Isomeric Smiles
O=C(CCc1cc(c(c(c1)N)O)N)OCC
Calculated Properties
JChem
Acid pKa
11.171812
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.3918088
LogD (pH = 7.4)
0.5934239
Log P
0.59684753
Molar Refractivity
62.866
Polarizability
23.210571
Polar Surface Area
98.57
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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