Molecule

ID:123803

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-15-10-5-2-7(6-9(10)12)11(14)13-8-3-4-8/h2,5-6,8H,3-4,12H2,1H3,(H,13,14)
InChIKey
YFKWIIUCAHLWQU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)C(=O)NC1CC1
Isomeric Smiles
C(=O)(NC1CC1)c1cc(c(cc1)OC)N
Calculated Properties
JChem
Acid pKa
15.305121
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.52421194
LogD (pH = 7.4)
0.5265002
Log P
0.5265295
Molar Refractivity
58.4079
Polarizability
21.625547
Polar Surface Area
64.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation