Molecule

ID:70816

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3
InChIKey
CEIXWJHURKEBMQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc2CNCCc2cc1OC
Isomeric Smiles
C1NCCc2cc(c(cc12)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8272995
LogD (pH = 7.4)
-0.437761
Log P
1.2561406
Molar Refractivity
55.542
Polarizability
21.601845
Polar Surface Area
30.49
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