Molecule

ID:73889

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-2-6-14(7-3-1)17-13-5-4-10-16-11-8-15-9-12-16/h1-3,6-7,15H,4-5,8-13H2
InChIKey
DYNWNUHSYNOCEW-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CCCCOc1ccccc1
Isomeric Smiles
O(c1ccccc1)CCCCN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.516382
LogD (pH = 7.4)
-0.16345087
Log P
1.8756131
Molar Refractivity
70.8057
Polarizability
28.084768
Polar Surface Area
24.5
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