Molecule

ID:56169

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₄O
Molecular Mass
292.33514
Exact Mass
292.13241115
Charge
0
InChI
InChI=1S/C17H16N4O/c18-14-10-13(15-8-9-17(22)21-20-15)6-7-16(14)19-11-12-4-2-1-3-5-12/h1-10,19H,11,18H2,(H,21,22)
InChIKey
DXDNVHPKAPSAQQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1NCc1ccccc1)c1ccc(=O)[nH]n1
Isomeric Smiles
c1c(c(ccc1c1ccc(=O)[nH]n1)NCc1ccccc1)N
Calculated Properties
JChem
Acid pKa
10.345546
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.7077255
LogD (pH = 7.4)
1.7274889
Log P
1.7282078
Molar Refractivity
90.2102
Polarizability
32.36043
Polar Surface Area
79.51
Rotatable Bonds
4
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