Molecule

ID:114373

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClN₄O
Molecular Mass
274.70564
Exact Mass
274.06213867
Charge
0
InChI
InChI=1S/C13H11ClN4O/c1-2-19-10-6-4-3-5-9(10)13-16-15-12-8-7-11(14)17-18(12)13/h3-8H,2H2,1H3
InChIKey
PCTDFQCJUHZHNV-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1c1nnc2n1nc(Cl)cc2
Isomeric Smiles
n12c(nnc1ccc(n2)Cl)c1c(OCC)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7406325
LogD (pH = 7.4)
2.7406495
Log P
2.7406497
Molar Refractivity
96.1693
Polarizability
28.098656
Polar Surface Area
52.31
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