Molecule

ID:12686

General Information
Structure
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-2-13-9-8-12-10-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
InChIKey
AZIHNRDAZYKXRK-UHFFFAOYSA-N
Canonic Smiles
C=COCCNCc1ccccc1
Isomeric Smiles
c1cccc(c1)CNCCOC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1014644
LogD (pH = 7.4)
0.27215484
Log P
1.9892936
Molar Refractivity
54.0417
Polarizability
21.542942
Polar Surface Area
21.26
Rotatable Bonds
6
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