Molecule

ID:121139

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₂
Molecular Mass
215.24782
Exact Mass
215.09462866
Charge
0
InChI
InChI=1S/C13H13NO2/c1-16-13(15)12-8-7-11(14-12)9-10-5-3-2-4-6-10/h2-8,14H,9H2,1H3
InChIKey
FMWQVNWZRAQOBM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc([nH]1)Cc1ccccc1
Isomeric Smiles
c1([nH]c(cc1)Cc1ccccc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
12.389307
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8324957
LogD (pH = 7.4)
2.8324919
Log P
2.8324957
Molar Refractivity
62.4883
Polarizability
23.816841
Polar Surface Area
42.09
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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