Molecule

ID:92247

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₃
Molecular Mass
219.23652
Exact Mass
219.08954328
Charge
0
InChI
InChI=1S/C12H13NO3/c1-9(14)13-11(8-16-12(13)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1
InChIKey
YMVGXIZVSPMNPD-LLVKDONJSA-N
Canonic Smiles
CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
Isomeric Smiles
O1C(=O)N([C@@H](C1)Cc1ccccc1)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7026637
LogD (pH = 7.4)
1.7026637
Log P
1.7026637
Molar Refractivity
57.6209
Polarizability
22.638113
Polar Surface Area
46.61
Rotatable Bonds
2
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