Molecule

ID:42393

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-13-9-4-2-3-8(7-12)10(9)14-6-5-11/h2-4,7H,6H2,1H3
InChIKey
KQMURQGQILYHJT-UHFFFAOYSA-N
Canonic Smiles
N#CCOc1c(OC)cccc1C=O
Isomeric Smiles
c1c(c(c(cc1)C=O)OCC#N)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.9063378
LogD (pH = 7.4)
0.9063378
Log P
0.9063378
Molar Refractivity
50.6323
Polarizability
18.977291
Polar Surface Area
59.32
Rotatable Bonds
4
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