Molecule

ID:30000

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-8(14)11(9(2)15)13-12-10-6-4-3-5-7-10/h3-7,11H,1-2H3/b13-12+
InChIKey
KZPRCESDIPAEAE-OUKQBFOZSA-N
Canonic Smiles
CC(=O)C(C(=O)C)/N=N/c1ccccc1
Isomeric Smiles
N(=N\c1ccccc1)/C(C(=O)C)C(=O)C
Calculated Properties
JChem
Acid pKa
10.010077
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4188302
LogD (pH = 7.4)
2.4177802
Log P
2.4188437
Molar Refractivity
57.7521
Polarizability
21.357618
Polar Surface Area
58.86
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation