Molecule

ID:119928

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-12-5-7(6-13)10-8(11(14)15)3-2-4-9(10)12/h2-6H,1H3,(H,14,15)
InChIKey
SRFWEFONCCXCRI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1c(ccc2)C(=O)O)C
Isomeric Smiles
c1(c2c(n(c1)C)cccc2C(=O)O)C=O
Calculated Properties
JChem
Acid pKa
3.4317524
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3914114
LogD (pH = 7.4)
-1.7288991
Log P
1.6657691
Molar Refractivity
55.8814
Polarizability
21.522984
Polar Surface Area
59.3
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