Molecule

ID:16919

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O
Molecular Mass
251.28322
Exact Mass
251.10586205
Charge
0
InChI
InChI=1S/C15H13N3O/c1-10-17-14-5-3-2-4-13(14)15(19)18(10)12-8-6-11(16)7-9-12/h2-9H,16H2,1H3
InChIKey
SFPYLVILXJIMJC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)n1c(C)nc2c(c1=O)cccc2
Isomeric Smiles
n1(c2ccc(cc2)N)c(=O)c2c(nc1C)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8229817
LogD (pH = 7.4)
1.826109
Log P
1.8261491
Molar Refractivity
76.7646
Polarizability
27.731886
Polar Surface Area
58.69
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