Molecule

ID:28410

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-7(13)6-11(15)8-4-2-3-5-9(8)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14)
InChIKey
CBMTTXBZZZABGG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CC1(O)C(=O)Nc2c1cccc2
Isomeric Smiles
C1(C(=O)Nc2c1cccc2)(CC(=O)C)O
Calculated Properties
JChem
Acid pKa
11.5456705
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.47747084
LogD (pH = 7.4)
0.47744069
Log P
0.47747123
Molar Refractivity
55.2229
Polarizability
20.714962
Polar Surface Area
66.4
Rotatable Bonds
2
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
暂无数据
点击上传数据
References
Bioactivity
Navigation