Molecule

ID:31771

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-5-9-7(11(14)15)4-8(6-2-3-6)12-10(9)16-13-5/h4,6H,2-3H2,1H3,(H,14,15)
InChIKey
HAAOEAXJMWXUTF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1c(C)no2)C1CC1
Isomeric Smiles
c12c(c(cc(n1)C1CC1)C(=O)O)c(no2)C
Calculated Properties
JChem
Acid pKa
3.4864793
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.79823846
LogD (pH = 7.4)
-2.1728454
Log P
1.2065781
Molar Refractivity
55.4618
Polarizability
21.1497
Polar Surface Area
76.22
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