Molecule

ID:48234

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-4-15-11(14)8-5-6-10(13(2)3)9(12)7-8/h5-7H,4,12H2,1-3H3
InChIKey
LDNOYGFOGCRYKP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N(C)C
Isomeric Smiles
c1(c(ccc(C(=O)OCC)c1)N(C)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6115854
LogD (pH = 7.4)
1.6126353
Log P
1.6126486
Molar Refractivity
61.9609
Polarizability
22.552866
Polar Surface Area
55.56
Rotatable Bonds
4
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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