Molecule

ID:19337

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-16-14-7-4-5-12(11-14)8-9-13-6-2-3-10-15-13/h4-5,7,11,13,15H,2-3,6,8-10H2,1H3
InChIKey
XUYIUFDWIAWRKK-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CCC1CCCCN1
Isomeric Smiles
N1C(CCc2cc(OC)ccc2)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.21270694
LogD (pH = 7.4)
0.28418326
Log P
3.0172865
Molar Refractivity
66.9374
Polarizability
26.48276
Polar Surface Area
21.26
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