Molecule

ID:60693

General Information
Structure
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-12(2)7-13-9-6-4-3-5-8(9)10(14)11(13)15/h3-6H,7H2,1-2H3
InChIKey
QQWDVUJPHMCDTH-UHFFFAOYSA-N
Canonic Smiles
CN(CN1c2ccccc2C(=O)C1=O)C
Isomeric Smiles
N1(C(=O)C(=O)c2c1cccc2)CN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7276444
LogD (pH = 7.4)
0.94083095
Log P
0.9443551
Molar Refractivity
56.4195
Polarizability
21.578966
Polar Surface Area
40.62
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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