Molecule

ID:43787

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-2-15-10(14)8-13-7-5-9-4-3-6-12-11(9)13/h3-7H,2,8H2,1H3
InChIKey
UJNZTQWAUBLDJK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1ccc2c1nccc2
Isomeric Smiles
n1(c2c(cc1)cccn2)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4021028
LogD (pH = 7.4)
1.425846
Log P
1.4261588
Molar Refractivity
55.4392
Polarizability
22.102476
Polar Surface Area
44.12
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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