Molecule

ID:15483

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c1-2-14-10(13)6-4-8-3-5-9(11)12-7-8/h3-7H,2H2,1H3,(H2,11,12)/b6-4+
InChIKey
GXLHWGSBMOMMOD-GQCTYLIASA-N
Canonic Smiles
CCOC(=O)/C=C/c1ccc(nc1)N
Isomeric Smiles
c1c(ncc(c1)/C=C/C(=O)OCC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.53776836
LogD (pH = 7.4)
1.375945
Log P
1.4199808
Molar Refractivity
55.4346
Polarizability
20.375708
Polar Surface Area
65.21
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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