Molecule

ID:20913

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₂
Molecular Mass
235.32204
Exact Mass
235.15722892
Charge
0
InChI
InChI=1S/C14H21NO2/c1-16-10-8-12-4-6-13(7-5-12)17-14-3-2-9-15-11-14/h4-7,14-15H,2-3,8-11H2,1H3
InChIKey
XNSFBTXQVKXUQT-UHFFFAOYSA-N
Canonic Smiles
COCCc1ccc(cc1)OC1CCCNC1
Isomeric Smiles
N1CC(Oc2ccc(cc2)CCOC)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0881556
LogD (pH = 7.4)
0.025412785
Log P
2.0811737
Molar Refractivity
68.7789
Polarizability
27.14964
Polar Surface Area
30.49
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