Molecule

ID:18146

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₂
Molecular Mass
222.28352
Exact Mass
222.13682783
Charge
0
InChI
InChI=1S/C12H18N2O2/c1-14(2)6-5-13-8-10-3-4-11-12(7-10)16-9-15-11/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKey
YGHQJIHQMUDTEP-UHFFFAOYSA-N
Canonic Smiles
CN(CCNCc1ccc2c(c1)OCO2)C
Isomeric Smiles
c12c(OCO1)ccc(c2)CNCCN(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1040971
LogD (pH = 7.4)
-0.6525331
Log P
1.1734726
Molar Refractivity
63.092
Polarizability
25.047077
Polar Surface Area
33.73
Rotatable Bonds
5
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