Molecule

ID:40908

General Information
Structure
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-13-10(12)5-7-2-3-9-8(4-7)11-6-14-9/h2-4,6H,5H2,1H3
InChIKey
FWUQPSOUPSUZAF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc2c(c1)nco2
Isomeric Smiles
n1c2c(oc1)ccc(c2)CC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1035061
LogD (pH = 7.4)
1.1035078
Log P
1.1035078
Molar Refractivity
48.7998
Polarizability
20.111433
Polar Surface Area
52.33
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