Molecule

ID:101477

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c1-16-12(15)10-7-13-11(14-8-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
SOMJCOFUAUMQPG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(nc1)c1ccccc1
Isomeric Smiles
c1(C(=O)OC)cnc(nc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4535303
LogD (pH = 7.4)
2.4535315
Log P
2.4535317
Molar Refractivity
70.1587
Polarizability
23.238012
Polar Surface Area
52.08
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