Molecule
ID:14666
General Information
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c1-11-7-4-3-6(9(13)14)5-8(7)12(2)10(11)15/h3-5H,1-2H3,(H,13,14)
InChIKey
YADNYMAVRMDIDZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)n(C)c(=O)n2C
Isomeric Smiles
c12c(n(c(=O)n2C)C)ccc(c1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9820747
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.63370794
LogD (pH = 7.4)
-2.2762702
Log P
0.89299107
Molar Refractivity
53.4828
Polarizability
19.834515
Polar Surface Area
60.85
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...