Molecule

ID:123774

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₃
Molecular Mass
224.25634
Exact Mass
224.11609238
Charge
0
InChI
InChI=1S/C11H16N2O3/c12-10-3-1-2-9(8-10)11(16)13(4-6-14)5-7-15/h1-3,8,14-15H,4-7,12H2
InChIKey
ODYLQZRDIXKWJB-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)c1cccc(c1)N)CCO
Isomeric Smiles
C(=O)(c1cc(N)ccc1)N(CCO)CCO
Calculated Properties
JChem
Acid pKa
15.272477
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.9400994
LogD (pH = 7.4)
-0.9379196
Log P
-0.9378917
Molar Refractivity
62.2148
Polarizability
22.939236
Polar Surface Area
86.79
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
No Data Available
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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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