Molecule

ID:17567

General Information
Structure
Molecular Formula
C₁₃H₁₃NO₂
Molecular Mass
215.24782
Exact Mass
215.09462866
Charge
0
InChI
InChI=1S/C13H13NO2/c1-16-13-6-4-11(5-7-13)9-14-8-2-3-12(14)10-15/h2-8,10H,9H2,1H3
InChIKey
VIIJCYZYIPQWTD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Cn1cccc1C=O
Isomeric Smiles
n1(c(ccc1)C=O)Cc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4761114
LogD (pH = 7.4)
2.4761114
Log P
2.4761114
Molar Refractivity
63.2508
Polarizability
23.804121
Polar Surface Area
31.23
Rotatable Bonds
4
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