Molecule

ID:116834

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(14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,14H2,1H3
InChIKey
LTASPYVMQCESLM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1cccc2c1cccc2)N
Isomeric Smiles
c1(C(C(=O)OC)N)c2c(ccc1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5787152
LogD (pH = 7.4)
1.8199471
Log P
1.9243246
Molar Refractivity
61.5806
Polarizability
25.682308
Polar Surface Area
52.32
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