Molecule

ID:19440

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-2-16-13-9-7-12(8-10-13)14-6-4-3-5-11-15-14/h7-10,14-15H,2-6,11H2,1H3
InChIKey
DMMRUUPDPAVQQH-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)C1CCCCCN1
Isomeric Smiles
N1C(c2ccc(cc2)OCC)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.13031773
LogD (pH = 7.4)
0.6171517
Log P
3.0854332
Molar Refractivity
66.931
Polarizability
26.558002
Polar Surface Area
21.26
Rotatable Bonds
3
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