Molecule

ID:46064

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-8-3-4-10(11(5-8)13-2)14-9-6-12-7-9/h3-5,9,12H,6-7H2,1-2H3
InChIKey
BIRPABCEZXLRHY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1OC1CNC1
Isomeric Smiles
c1(c(cc(cc1)C)OC)OC1CNC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1426165
LogD (pH = 7.4)
0.5144682
Log P
1.6951634
Molar Refractivity
54.4512
Polarizability
21.607803
Polar Surface Area
30.49
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