Molecule

ID:114071

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₂
Molecular Mass
278.30526
Exact Mass
278.1055277
Charge
0
InChI
InChI=1S/C17H14N2O2/c1-19-16(17(20)21)11-15(18-19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKey
DWSDXIBXFAPIAU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nn1C)c1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(n(nc(c1)c1ccc(cc1)c1ccccc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.277294
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4493496
LogD (pH = 7.4)
0.22706261
Log P
3.6589909
Molar Refractivity
91.9955
Polarizability
33.190815
Polar Surface Area
55.12
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