Molecule

ID:123014

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₄
Molecular Mass
221.20934
Exact Mass
221.06880784
Charge
0
InChI
InChI=1S/C11H11NO4/c1-15-10(13)6-9-11(14)12-7-4-2-3-5-8(7)16-9/h2-5,9H,6H2,1H3,(H,12,14)
InChIKey
ZXHVFOBSOSTVJS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1Oc2ccccc2NC1=O
Isomeric Smiles
N1C(=O)C(Oc2c1cccc2)CC(=O)OC
Calculated Properties
JChem
Acid pKa
11.524481
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.82745993
LogD (pH = 7.4)
0.82742935
Log P
0.82746035
Molar Refractivity
56.1235
Polarizability
21.509392
Polar Surface Area
64.63
Rotatable Bonds
3
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