Molecule

ID:119521

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-14-10-4-2-3-8-5-6-9(7-13)12-11(8)10/h2-7H,1H3
InChIKey
WXFAZCYUMXZXBA-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1nc(C=O)cc2
Isomeric Smiles
n1c2c(OC)cccc2ccc1C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3602495
LogD (pH = 7.4)
2.3602743
Log P
2.3602746
Molar Refractivity
52.6413
Polarizability
21.377466
Polar Surface Area
39.19
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