Molecule

ID:12504

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2,12H2,1H3
InChIKey
GQXOMZRZCLHBSH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1N)cccc2
Isomeric Smiles
c1([nH]c2c(c1N)cccc2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
14.214339
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.173368
LogD (pH = 7.4)
2.1733677
Log P
2.173368
Molar Refractivity
58.4963
Polarizability
22.943197
Polar Surface Area
68.11
Rotatable Bonds
3
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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