Molecule

ID:43541

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-6-11-8-5-7(10(12)13-2)3-4-9(8)14-6/h3-5H,1-2H3
InChIKey
UFLDNRAXHGPDOD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)nc(o2)C
Isomeric Smiles
n1c2c(oc1C)ccc(C(=O)OC)c2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4464064
LogD (pH = 7.4)
1.4464071
Log P
1.4464071
Molar Refractivity
49.1891
Polarizability
20.01426
Polar Surface Area
52.33
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