Molecule

ID:46098

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-13-10-4-2-3-9(5-10)8-14-11-6-12-7-11/h2-5,11-12H,6-8H2,1H3
InChIKey
IVCZMEAGZZPMRS-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)COC1CNC1
Isomeric Smiles
N1CC(OCc2cc(OC)ccc2)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7394477
LogD (pH = 7.4)
-0.16647302
Log P
1.21519
Molar Refractivity
54.5139
Polarizability
21.694653
Polar Surface Area
30.49
Rotatable Bonds
4
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