Molecule
ID:10796
General Information
Molecular Formula
C₁₇H₁₂N₂O₃
Molecular Mass
292.28878
Exact Mass
292.08479225
Charge
0
InChI
InChI=1S/C17H12N2O3/c20-16(13-8-4-5-9-14(13)17(21)22)19-11-10-18-15(19)12-6-2-1-3-7-12/h1-11H,(H,21,22)
InChIKey
CGERIIAODKVBAL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1C(=O)n1ccnc1c1ccccc1
Isomeric Smiles
c1ccc(c(c1)C(=O)O)C(=O)n1ccnc1c1ccccc1
Calculated Properties
JChem
Acid pKa
2.991695
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.12119423
LogD (pH = 7.4)
-0.77805537
Log P
2.2422323
Molar Refractivity
91.3114
Polarizability
31.197323
Polar Surface Area
72.19
Rotatable Bonds
3
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...