Molecule

ID:92199

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₂
Molecular Mass
262.34738
Exact Mass
262.16812795
Charge
0
InChI
InChI=1S/C15H22N2O2/c1-3-19-15(18)13-5-7-14(8-6-13)17-10-4-9-16(2)11-12-17/h5-8H,3-4,9-12H2,1-2H3
InChIKey
WCMMLZOWJXPOQF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)N1CCCN(CC1)C
Isomeric Smiles
O(CC)C(=O)c1ccc(cc1)N1CCCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.6891226
LogD (pH = 7.4)
1.010839
Log P
2.3486538
Molar Refractivity
78.176
Polarizability
29.573082
Polar Surface Area
32.78
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