Molecule

ID:114313

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-15-9-4-2-8(3-5-9)10-6-11(14)13-7-12-10/h2-7H,1H3,(H,12,13,14)
InChIKey
PDXQDTVTMJFNNX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ncnc(c1)O
Isomeric Smiles
c1c(ncnc1O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
12.245962
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.216028
LogD (pH = 7.4)
2.2160258
Log P
2.216032
Molar Refractivity
56.2441
Polarizability
22.611948
Polar Surface Area
55.24
Rotatable Bonds
2
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