Molecule

ID:54249

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
IZULDLZFUWWFHF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)noc1c1ccccc1
Isomeric Smiles
c1(c2ccccc2)c(c(no1)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7488834
LogD (pH = 7.4)
1.7488902
Log P
1.7488902
Molar Refractivity
53.6892
Polarizability
20.933304
Polar Surface Area
43.1
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