Molecule

ID:45229

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-7-12-9-6-8(11(14)15-3)4-5-10(9)13(7)2/h4-6H,1-3H3
InChIKey
JUEIIGFUWKREDV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)nc(n2C)C
Isomeric Smiles
n1c(n(c2c1cc(C(=O)OC)cc2)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4978466
LogD (pH = 7.4)
1.6081002
Log P
1.6097218
Molar Refractivity
56.3312
Polarizability
22.58858
Polar Surface Area
44.12
Rotatable Bonds
2
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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