Molecule

ID:71056

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)9-8-7(3-5-11-8)4-6-12-9/h3-6,11H,2H2,1H3
InChIKey
WXJZTXHBYPZBCT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nccc2c1[nH]cc2
Isomeric Smiles
c1(c2[nH]ccc2ccn1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
12.846446
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.399522
LogD (pH = 7.4)
1.4004571
Log P
1.4004706
Molar Refractivity
51.3895
Polarizability
20.92058
Polar Surface Area
54.98
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