Molecule

ID:39659

General Information
Structure
Molecular Formula
C₁₃H₁₁NO₂
Molecular Mass
213.23194
Exact Mass
213.0789786
Charge
0
InChI
InChI=1S/C13H11NO2/c1-14-8-11(7-12(14)9-15)13(16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
WDCINSJQPIINCX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(cn1C)C(=O)c1ccccc1
Isomeric Smiles
c1(cn(c(c1)C=O)C)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3686626
LogD (pH = 7.4)
2.3686626
Log P
2.3686626
Molar Refractivity
62.7505
Polarizability
23.34583
Polar Surface Area
39.07
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