Molecule

ID:16415

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₂
Molecular Mass
203.23712
Exact Mass
203.09462866
Charge
0
InChI
InChI=1S/C12H13NO2/c1-8-11(7-14)10-6-9(15-3)4-5-12(10)13(8)2/h4-7H,1-3H3
InChIKey
MGLQQLFILGRXTQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(C=O)c(n2C)C
Isomeric Smiles
c12c(n(c(c1C=O)C)C)ccc(c2)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0500762
LogD (pH = 7.4)
2.0500762
Log P
2.0500762
Molar Refractivity
60.2381
Polarizability
23.482662
Polar Surface Area
31.23
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