Molecule

ID:20105

General Information
Structure
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11,15H2
InChIKey
KZIPKNLJWRDAKV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCCC1CCCCC1
Isomeric Smiles
c1(N)ccc(cc1)OCCC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3322668
LogD (pH = 7.4)
3.4655492
Log P
3.4675467
Molar Refractivity
67.6446
Polarizability
26.164072
Polar Surface Area
35.25
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