Molecule

ID:60083

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-15-9-4-2-3-8(7-9)10-5-6-11(14)13-12-10/h2-7H,1H3,(H,13,14)
InChIKey
UOQOBALQFJEZHU-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1ccc(=O)[nH]n1
Isomeric Smiles
n1[nH]c(=O)ccc1c1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
10.34479
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2022057
LogD (pH = 7.4)
1.2017747
Log P
1.2022113
Molar Refractivity
57.1666
Polarizability
21.168022
Polar Surface Area
50.69
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