Molecule

ID:76115

General Information
Structure
Molecular Formula
C₁₃H₉NO
Molecular Mass
195.21666
Exact Mass
195.06841391
Charge
0
InChI
InChI=1S/C13H9NO/c1-2-4-11-7-12(6-5-10(11)3-1)13-8-14-9-15-13/h1-9H
InChIKey
UQGCSVOKHFBQIP-UHFFFAOYSA-N
Canonic Smiles
c1ncc(o1)c1ccc2c(c1)cccc2
Isomeric Smiles
o1c(cnc1)c1cc2ccccc2cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4718344
LogD (pH = 7.4)
2.4718404
Log P
2.4718404
Molar Refractivity
58.2313
Polarizability
24.920038
Polar Surface Area
26.03
Rotatable Bonds
1
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