Molecule

ID:27428

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O₃
Molecular Mass
244.24598
Exact Mass
244.08479225
Charge
0
InChI
InChI=1S/C13H12N2O3/c1-8-6-12(15-18-8)13(17)14-11-5-3-4-10(7-11)9(2)16/h3-7H,1-2H3,(H,14,17)
InChIKey
SGJOBFPSDSIHJF-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(c1)C(=O)Nc1cccc(c1)C(=O)C
Isomeric Smiles
c1(noc(c1)C)C(=O)Nc1cc(C(=O)C)ccc1
Calculated Properties
JChem
Acid pKa
9.122748
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5726368
LogD (pH = 7.4)
1.5649985
Log P
1.5727352
Molar Refractivity
68.214
Polarizability
24.46554
Polar Surface Area
72.2
Rotatable Bonds
3
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