Molecule

ID:135422

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,1-3H3
InChIKey
GBRHJUMDNWLSCT-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)cc(c1C#N)OC
Isomeric Smiles
COc1cc(c(c(c1)OC)C#N)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3563282
LogD (pH = 7.4)
1.3563282
Log P
1.3563282
Molar Refractivity
51.1692
Polarizability
19.734974
Polar Surface Area
51.48
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