Molecule

ID:44357

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉N₃O₂
Molecular Mass
263.25086
Exact Mass
263.06947654
Charge
0
InChI
InChI=1S/C15H9N3O2/c19-14-9-5-1-2-6-10(9)15(20)18(14)13-11-7-3-4-8-12(11)16-17-13/h1-8H,(H,16,17)
InChIKey
QZVLTKNDOHSWPC-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2C(=O)N1c1n[nH]c2c1cccc2
Isomeric Smiles
N1(c2n[nH]c3c2cccc3)C(=O)c2c(C1=O)cccc2
Calculated Properties
JChem
Acid pKa
12.802609
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4925766
LogD (pH = 7.4)
2.4925752
Log P
2.4925768
Molar Refractivity
74.3177
Polarizability
28.408218
Polar Surface Area
66.06
Rotatable Bonds
1
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